 ciftbx warning: cif_expanded.dic save_CIF_DIC line:     24
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CIF_CORE line:     41
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CORE_CRYSTAL line:     53
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CELL line:     66
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CELL_ANGLE line:    224
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CELL_LENGTH line:    288
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CELL_VECTOR line:    331
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CELL_MEASUREMENT line:    392
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CELL_MEASUREMENT_REFLN line:    533
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_CELL_MEASUREMENT_REFLN line:    522
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CELL_RECIPROCAL line:    638
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CELL_RECIPROCAL_ANGLE line:    742
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CELL_RECIPROCAL_LENGTH line:    806
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CELL_RECIPROCAL_VECTOR line:    870
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CHEMICAL line:    937
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CHEMICAL_CONN_ATOM line:   1146
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_CHEMICAL_CONN_ATOM line:   1126
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_chemical_conn_atom.number line:   1253
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_CHEMICAL_CONN_BOND line:   1297
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_CHEMICAL_CONN_BOND line:   1284
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CHEMICAL_FORMULA line:   1400
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_chemical_formula.analytical line:   1453
  Item type formula not recognized
 ciftbx warning: cif_expanded.dic save_chemical_formula.iupac line:   1470
  Item type formula not recognized
 ciftbx warning: cif_expanded.dic save_chemical_formula.moiety line:   1493
  Item type formula not recognized
 ciftbx warning: cif_expanded.dic save_chemical_formula.structural line:   1525
  Item type formula not recognized
 ciftbx warning: cif_expanded.dic save_chemical_formula.sum line:   1543
  Item type formula not recognized
 ciftbx warning: cif_expanded.dic save_EXPTL line:   1607
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_EXPTL line:   1595
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_exptl.crystals_number line:   1625
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_EXPTL_ABSORPT line:   1656
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_EXPTL_CRYSTAL line:   1767
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_EXPTL_CRYSTAL_FACE line:   2062
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_EXPTL_CRYSTAL_FACE line:   2051
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_EXPTL_CRYSTAL_APPEARANCE line:   2267
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_SYMMETRY line:   2379
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_symmetry.Int_Tables_number line:   2415
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_symmetry.multiplicity line:   2430
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_SYMMETRY_EQUIV line:   2515
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_SYMMETRY_EQUIV line:   2504
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_symmetry_equiv.pos_as_xyz line:   2539
  Item type formula not recognized
 ciftbx warning: cif_expanded.dic save_symmetry_equiv.pos_site_id line:   2560
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_CORE_DIFFRACTION line:   2682
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN line:   2695
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_ATTENUATOR line:   2805
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_DIFFRN_ATTENUATOR line:   2794
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_DETECTOR line:   2875
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_MEASUREMENT line:   2973
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_ORIENT line:   3094
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_ORIENT_MATRIX line:   3107
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_ORIENT_REFLN line:   3299
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_DIFFRN_ORIENT_REFLN line:   3287
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_RADIATION line:   3478
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_RADIATION_WAVELENGTH line:   3673
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_DIFFRN_RADIATION_WAVELENGTH line:   3660
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_REFLN line:   3760
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_DIFFRN_REFLN line:   3748
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_REFLNS line:   4307
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_REFLNS_TRANSF_MATRIX line:   4552
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_REFLNS_CLASS line:   4745
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_DIFFRN_REFLNS_CLASS line:   4733
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_SCALE_GROUP line:   4896
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_DIFFRN_SCALE_GROUP line:   4884
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_SOURCE line:   4953
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_STANDARDS line:   5213
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DIFFRN_STANDARD_REFLN line:   5324
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_DIFFRN_STANDARD_REFLN line:   5311
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_REFLN line:   5439
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_REFLN line:   5427
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_refln.F_complex line:   5626
  Item type complex not recognized
 ciftbx warning: cif_expanded.dic save_refln.symmetry_epsilon line:   6139
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_refln.symmetry_multiplicity line:   6156
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_REFLNS line:   6209
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_REFLNS_CLASS line:   6470
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_REFLNS_CLASS line:   6459
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_REFLNS_SCALE line:   6695
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_REFLNS_SCALE line:   6684
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_REFLNS_SHELL line:   6791
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_REFLNS_SHELL line:   6780
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CORE_STRUCTURE line:   7114
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_ATOM_SITE line:   7139
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_ATOM_SITE line:   7127
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_atom_site.calc_attached_atom line:   7267
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_atom_site.chemical_conn_number line:   7377
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_atom_site.label line:   7576
  Duplicate data item _description.common
 ciftbx warning: cif_expanded.dic save_atom_site.label line:   7546
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_atom_site.label_component_0 line:   7581
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_atom_site.label_component_1 line:   7607
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_atom_site.label_component_2 line:   7633
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_atom_site.label_component_3 line:   7659
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_atom_site.label_component_4 line:   7685
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_atom_site.label_component_5 line:   7711
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_atom_site.label_component_6 line:   7737
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_atom_site.symmetry_multiplicity line:   7827
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_ATOM_SITE_ANISO line:   7969
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_ATOM_SITE_ANISO line:   7956
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_atom_site_aniso.label line:   7993
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_ATOM_SITES line:   8435
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_ATOM_SITES_CARTN_TRANSFORM line:   8522
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_ATOM_TYPE line:   8627
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_ATOM_TYPE line:   8615
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_atom_type.atomic_number line:   8729
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_atom_type.electron_count line:   8923
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_ATOM_TYPE_SCAT line:   9326
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_ATOM_TYPE_SCAT line:   9314
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_REFINE line:  10623
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_REFINE_DIFF line:  10650
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_REFINE_LS line:  10707
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_REFINE_LS_CLASS line:  11438
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_REFINE_LS_CLASS line:  11427
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_CORE_MODEL line:  11597
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_GEOM line:  11610
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_GEOM_ANGLE line:  11719
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_GEOM_ANGLE line:  11707
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_geom_angle.atom_site_label_1 line:  11784
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_angle.atom_site_label_2 line:  11818
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_angle.atom_site_label_3 line:  11852
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_angle.id line:  11900
  Item type label,symop not recognized
 ciftbx warning: cif_expanded.dic save_geom_angle.publ_flag line:  11928
  Item type yesorno not recognized
 ciftbx warning: cif_expanded.dic save_GEOM_BOND line:  12100
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_GEOM_BOND line:  12088
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_geom_bond.atom_site_label_1 line:  12150
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_bond.atom_site_label_2 line:  12184
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_bond.id line:  12248
  Item type label,symop not recognized
 ciftbx warning: cif_expanded.dic save_geom_bond.publ_flag line:  12274
  Item type yesorno not recognized
 ciftbx warning: cif_expanded.dic save_GEOM_CONTACT line:  12376
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_GEOM_CONTACT line:  12364
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_geom_contact.atom_site_label_1 line:  12439
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_contact.atom_site_label_2 line:  12473
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_contact.id line:  12537
  Item type label,symop not recognized
 ciftbx warning: cif_expanded.dic save_geom_contact.publ_flag line:  12563
  Item type yesorno not recognized
 ciftbx warning: cif_expanded.dic save_GEOM_HBOND line:  12665
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_GEOM_HBOND line:  12653
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_geom_hbond.atom_site_label_A line:  12727
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_hbond.atom_site_label_D line:  12761
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_hbond.atom_site_label_H line:  12795
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_hbond.id line:  12919
  Item type label,symop not recognized
 ciftbx warning: cif_expanded.dic save_geom_hbond.publ_flag line:  12947
  Item type yesorno not recognized
 ciftbx warning: cif_expanded.dic save_GEOM_TORSION line:  13086
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_GEOM_TORSION line:  13074
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_geom_torsion.atom_site_label_1 line:  13165
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_torsion.atom_site_label_2 line:  13199
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_torsion.atom_site_label_3 line:  13233
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_torsion.atom_site_label_4 line:  13267
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_geom_torsion.id line:  13315
  Item type label,symop not recognized
 ciftbx warning: cif_expanded.dic save_geom_torsion.publ_flag line:  13343
  Item type yesorno not recognized
 ciftbx warning: cif_expanded.dic save_MODEL_SITE line:  13534
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_MODEL_SITE line:  13522
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_model_site.id line:  13845
  Item type label,symop not recognized
 ciftbx warning: cif_expanded.dic save_model_site.index line:  13869
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_model_site.label line:  13883
  Item type label not recognized
 ciftbx warning: cif_expanded.dic save_model_site.mole_index line:  13905
  Item type index not recognized
 ciftbx warning: cif_expanded.dic save_model_site.type_symbol line:  13965
  Item type element not recognized
 ciftbx warning: cif_expanded.dic save_CORE_PUBLICATION line:  13987
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_DISPLAY_COLOUR line:  14011
  Multiple DDL 1, 2 or m related key definitions 
 ciftbx warning: cif_expanded.dic save_DISPLAY_COLOUR line:  14000
  No name in the block matches the block name
 ciftbx warning: cif_expanded.dic save_display_colour.RGB line:  14094
  Item type index not recognized
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cif_dic
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cif_core
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name core_crystal
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cell
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cell_angle
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cell_length
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cell_vector
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cell_measurement
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cell_measurement_refln
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cell_reciprocal
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cell_reciprocal_angle
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cell_reciprocal_length
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name cell_reciprocal_vector
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name chemical
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name chemical_conn_atom
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name chemical_conn_bond
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name chemical_formula
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name exptl
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name exptl_absorpt
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name exptl_crystal
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name exptl_crystal_face
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name exptl_crystal_appearance
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name symmetry
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name symmetry_equiv
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name core_diffraction
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_attenuator
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_detector
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_measurement
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_orient
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_orient_matrix
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_orient_refln
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_radiation
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_radiation_wavelength
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_refln
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_reflns
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_reflns_transf_matrix
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_reflns_class
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_scale_group
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_source
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_standards
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name diffrn_standard_refln
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name refln
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name reflns
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name reflns_class
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name reflns_scale
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name reflns_shell
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name core_structure
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name atom_site
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name atom_site_aniso
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name atom_sites
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name atom_sites_cartn_transform
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name atom_type
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name atom_type_scat
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name refine
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name refine_diff
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name refine_ls
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name refine_ls_class
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name core_model
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name geom
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name geom_angle
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name geom_bond
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name geom_contact
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name geom_hbond
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name geom_torsion
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name model_site
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name core_publication
 ciftbx warning: cif_expanded.dic data_  line:  14200
  No type specified for name display_colour

 Read data from CIF  test.cif                        

 ciftbx warning: test.cif data_mumbo_jumbo line:      5
  Data name _audit_creation_date not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:      5
  No category defined for _audit_creation_date
 ciftbx warning: test.cif data_mumbo_jumbo line:      6
  Data name _audit_creation_method not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:      6
  No category defined for _audit_creation_method
 ciftbx warning: test.cif data_mumbo_jumbo line:      7
  Data name _audit_update_record not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:      7
  No category defined for _audit_update_record
 ciftbx warning: test.cif data_mumbo_jumbo line:     12
  Data name _dummy_test not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     12
  No category defined for _dummy_test
 ciftbx warning: test.cif data_mumbo_jumbo line:     14
  Data name _chemical_name_systematic not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     14
  No category defined for _chemical_name_systematic
 ciftbx warning: test.cif data_mumbo_jumbo line:     16
  Data name _chemical_formula_moiety not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     16
  No category defined for _chemical_formula_moiety
 ciftbx warning: test.cif data_mumbo_jumbo line:     17
  Data name _chemical_formula_sum not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     17
  No category defined for _chemical_formula_sum
 ciftbx warning: test.cif data_mumbo_jumbo line:     18
  Data name _chemical_formula_weight not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     18
  No category defined for _chemical_formula_weight
 ciftbx warning: test.cif data_mumbo_jumbo line:     19
  Data name _chemical_melting_point not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     19
  No category defined for _chemical_melting_point
 ciftbx warning: test.cif data_mumbo_jumbo line:     22
  Data name _cell_length_b not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     22
  No category defined for _cell_length_b
 ciftbx warning: test.cif data_mumbo_jumbo line:     23
  Data name _cell_length_c not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     23
  No category defined for _cell_length_c
 ciftbx warning: test.cif data_mumbo_jumbo line:     24
  Data name _cell_angle_alpha not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     24
  No category defined for _cell_angle_alpha
 ciftbx warning: test.cif data_mumbo_jumbo line:     25
  Data name _cell_angle_beta not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     25
  No category defined for _cell_angle_beta
 ciftbx warning: test.cif data_mumbo_jumbo line:     26
  Data name _cell_angle_gamma not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     26
  No category defined for _cell_angle_gamma
 ciftbx warning: test.cif data_mumbo_jumbo line:     27
  Data name _cell_volume not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     27
  No category defined for _cell_volume
 ciftbx warning: test.cif data_mumbo_jumbo line:     28
  Data name _cell_formula_units_z not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     28
  No category defined for _cell_formula_units_z
 ciftbx warning: test.cif data_mumbo_jumbo line:     29
  Data name _cell_measurement_temperature not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     29
  No category defined for _cell_measurement_temperature
 ciftbx warning: test.cif data_mumbo_jumbo line:     30
  Data name _cell_measurement_reflns_used not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     30
  No category defined for _cell_measurement_reflns_used
 ciftbx warning: test.cif data_mumbo_jumbo line:     31
  Data name _cell_measurement_theta_min not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     31
  No category defined for _cell_measurement_theta_min
 ciftbx warning: test.cif data_mumbo_jumbo line:     32
  Data name _cell_measurement_theta_max not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     32
  No category defined for _cell_measurement_theta_max
 ciftbx warning: test.cif data_mumbo_jumbo line:     34
  Data name _symmetry_cell_setting not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     34
  No category defined for _symmetry_cell_setting
 ciftbx warning: test.cif data_mumbo_jumbo line:     35
  Data name _symmetry_space_group_name_h-m not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     35
  No category defined for _symmetry_space_group_name_h-m
 ciftbx warning: test.cif data_mumbo_jumbo line:     36
  Data name _symmetry_space_group_name_hall not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     36
  No category defined for _symmetry_space_group_name_hall
 ciftbx warning: test.cif data_mumbo_jumbo line:     39
  Data name _atom_type_symbol not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     39
  No category defined for _atom_type_symbol
 ciftbx warning: test.cif data_mumbo_jumbo line:     40
  Data name _atom_type_oxidation_number not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     40
  No category defined for _atom_type_oxidation_number
 ciftbx warning: test.cif data_mumbo_jumbo line:     41
  Data name _atom_type_number_in_cell not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     41
  No category defined for _atom_type_number_in_cell
 ciftbx warning: test.cif data_mumbo_jumbo line:     42
  Data name _atom_type_scat_dispersion_real not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     42
  No category defined for _atom_type_scat_dispersion_real
 ciftbx warning: test.cif data_mumbo_jumbo line:     43
  Data name _atom_type_scat_dispersion_imag not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     43
  No category defined for _atom_type_scat_dispersion_imag
 ciftbx warning: test.cif data_mumbo_jumbo line:     44
  Data name _atom_type_scat_source not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     44
  No category defined for _atom_type_scat_source
 ciftbx warning: test.cif data_mumbo_jumbo line:     52
  Data name _atom_site_label not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     52
  No category defined for _atom_site_label
 ciftbx warning: test.cif data_mumbo_jumbo line:     53
  Data name _atom_site_fract_x not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     53
  No category defined for _atom_site_fract_x
 ciftbx warning: test.cif data_mumbo_jumbo line:     54
  Data name _atom_site_fract_y not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     54
  No category defined for _atom_site_fract_y
 ciftbx warning: test.cif data_mumbo_jumbo line:     55
  Data name _atom_site_fract_z not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     55
  No category defined for _atom_site_fract_z
 ciftbx warning: test.cif data_mumbo_jumbo line:     56
  Data name _atom_site_u_iso_or_equiv not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     56
  No category defined for _atom_site_u_iso_or_equiv
 ciftbx warning: test.cif data_mumbo_jumbo line:     57
  Data name _atom_site_thermal_displace_type not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     57
  No category defined for _atom_site_thermal_displace_type
 ciftbx warning: test.cif data_mumbo_jumbo line:     58
  Data name _atom_site_calc_flag not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     58
  No category defined for _atom_site_calc_flag
 ciftbx warning: test.cif data_mumbo_jumbo line:     59
  Data name _atom_site_calc_attached_atom not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     59
  No category defined for _atom_site_calc_attached_atom
 ciftbx warning: test.cif data_mumbo_jumbo line:     60
  Data name _atom_site_type_symbol not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     60
  No category defined for _atom_site_type_symbol
 ciftbx warning: test.cif data_mumbo_jumbo line:     66
  Data name _atom_site_aniso_label not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     66
  No category defined for _atom_site_aniso_label
 ciftbx warning: test.cif data_mumbo_jumbo line:     67
  Data name _atom_site_aniso_u_11 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     67
  No category defined for _atom_site_aniso_u_11
 ciftbx warning: test.cif data_mumbo_jumbo line:     68
  Data name _atom_site_aniso_u_22 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     68
  No category defined for _atom_site_aniso_u_22
 ciftbx warning: test.cif data_mumbo_jumbo line:     69
  Data name _atom_site_aniso_u_33 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     69
  No category defined for _atom_site_aniso_u_33
 ciftbx warning: test.cif data_mumbo_jumbo line:     70
  Data name _atom_site_aniso_u_12 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     70
  No category defined for _atom_site_aniso_u_12
 ciftbx warning: test.cif data_mumbo_jumbo line:     71
  Data name _atom_site_aniso_u_13 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     71
  No category defined for _atom_site_aniso_u_13
 ciftbx warning: test.cif data_mumbo_jumbo line:     72
  Data name _atom_site_aniso_u_23 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     72
  No category defined for _atom_site_aniso_u_23
 ciftbx warning: test.cif data_mumbo_jumbo line:     73
  Data name _atom_site_aniso_type_symbol not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     73
  No category defined for _atom_site_aniso_type_symbol
 ciftbx warning: test.cif data_mumbo_jumbo line:     77
  Data name _blat1 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     77
  No category defined for _blat1
 ciftbx warning: test.cif data_mumbo_jumbo line:     77
  Data name _blat2 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     77
  No category defined for _blat2

 Access items in data block  mumbo_jumbo                                                                

 Cell dimension(s) missing!

 Cell     0.0000   14.9560   19.7370
          0.0000    0.0010    0.0030

 Space group   P_2ac_2ab

 Next data name in CIF is   _atom_type_symbol               

 Audit record

  91-04-09           text and data added by Tony Willis.                        
  91-04-15           rec'd by co-editor with diagram as manuscript HL7.         
  91-04-17           adjustments based on first referees report.                
  91-04-18           adjustments based on second referee's report.              

 Atom sites

 s     0.2020  0.7980  0.9167  0.0300  0.0000  0.0000  0.0000  0.0030
 o     0.4980  0.4980  0.6667  0.0252  0.0000  0.0000  0.0000  0.0030
 c1    0.4880  0.0960  0.0380  0.0317  0.0000  0.0000  0.0000  0.0030
 ciftbx warning: test.cif data_publication line:     84
  Data name _publ_author_name not in dictionary!
 ciftbx warning: test.cif data_publication line:     84
  No category defined for _publ_author_name
 ciftbx warning: test.cif data_publication line:     85
  Data name _publ_author_address not in dictionary!
 ciftbx warning: test.cif data_publication line:     85
  No category defined for _publ_author_address


 Access items in data block  publication                                                                


 Author list

 Furber, Mark
 Research School of Chemistry                      
 Australian National University                    
 GPO Box 4                                         
 Canberra, A.C.T.                                  
 Australia    2601                                 

 Mander, Lewis N.
 Research School of Chemistry                      
 Australian National University                    
 GPO Box 4                                         
 Canberra, A.C.T.                                  
 Australia    2601                                 

 Patrick, Graham L.
 Research School of Chemistry                      
 Australian National University                    
 GPO Box 4                                         
 Canberra, A.C.T.                                  
 Australia    2601                                 

 Willis, Anthony C.
 Research School of Chemistry                      
 Australian National University                    
 GPO Box 4                                         
 Canberra, A.C.T.                                  
 Australia    2601                                 
 ciftbx warning: test.cif data_mumbo_jumbo line:      5
  Data name _audit_creation_date not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:      5
  No category defined for _audit_creation_date
 ciftbx warning: test.cif data_mumbo_jumbo line:      6
  Data name _audit_creation_method not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:      6
  No category defined for _audit_creation_method
 ciftbx warning: test.cif data_mumbo_jumbo line:      7
  Data name _audit_update_record not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:      7
  No category defined for _audit_update_record
 ciftbx warning: test.cif data_mumbo_jumbo line:     12
  Data name _dummy_test not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     12
  No category defined for _dummy_test
 ciftbx warning: test.cif data_mumbo_jumbo line:     14
  Data name _chemical_name_systematic not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     14
  No category defined for _chemical_name_systematic
 ciftbx warning: test.cif data_mumbo_jumbo line:     16
  Data name _chemical_formula_moiety not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     16
  No category defined for _chemical_formula_moiety
 ciftbx warning: test.cif data_mumbo_jumbo line:     17
  Data name _chemical_formula_sum not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     17
  No category defined for _chemical_formula_sum
 ciftbx warning: test.cif data_mumbo_jumbo line:     18
  Data name _chemical_formula_weight not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     18
  No category defined for _chemical_formula_weight
 ciftbx warning: test.cif data_mumbo_jumbo line:     19
  Data name _chemical_melting_point not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     19
  No category defined for _chemical_melting_point
 ciftbx warning: test.cif data_mumbo_jumbo line:     22
  Data name _cell_length_b not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     22
  No category defined for _cell_length_b
 ciftbx warning: test.cif data_mumbo_jumbo line:     23
  Data name _cell_length_c not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     23
  No category defined for _cell_length_c
 ciftbx warning: test.cif data_mumbo_jumbo line:     24
  Data name _cell_angle_alpha not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     24
  No category defined for _cell_angle_alpha
 ciftbx warning: test.cif data_mumbo_jumbo line:     25
  Data name _cell_angle_beta not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     25
  No category defined for _cell_angle_beta
 ciftbx warning: test.cif data_mumbo_jumbo line:     26
  Data name _cell_angle_gamma not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     26
  No category defined for _cell_angle_gamma
 ciftbx warning: test.cif data_mumbo_jumbo line:     27
  Data name _cell_volume not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     27
  No category defined for _cell_volume
 ciftbx warning: test.cif data_mumbo_jumbo line:     28
  Data name _cell_formula_units_z not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     28
  No category defined for _cell_formula_units_z
 ciftbx warning: test.cif data_mumbo_jumbo line:     29
  Data name _cell_measurement_temperature not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     29
  No category defined for _cell_measurement_temperature
 ciftbx warning: test.cif data_mumbo_jumbo line:     30
  Data name _cell_measurement_reflns_used not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     30
  No category defined for _cell_measurement_reflns_used
 ciftbx warning: test.cif data_mumbo_jumbo line:     31
  Data name _cell_measurement_theta_min not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     31
  No category defined for _cell_measurement_theta_min
 ciftbx warning: test.cif data_mumbo_jumbo line:     32
  Data name _cell_measurement_theta_max not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     32
  No category defined for _cell_measurement_theta_max
 ciftbx warning: test.cif data_mumbo_jumbo line:     34
  Data name _symmetry_cell_setting not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     34
  No category defined for _symmetry_cell_setting
 ciftbx warning: test.cif data_mumbo_jumbo line:     35
  Data name _symmetry_space_group_name_h-m not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     35
  No category defined for _symmetry_space_group_name_h-m
 ciftbx warning: test.cif data_mumbo_jumbo line:     36
  Data name _symmetry_space_group_name_hall not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     36
  No category defined for _symmetry_space_group_name_hall
 ciftbx warning: test.cif data_mumbo_jumbo line:     39
  Data name _atom_type_symbol not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     39
  No category defined for _atom_type_symbol
 ciftbx warning: test.cif data_mumbo_jumbo line:     40
  Data name _atom_type_oxidation_number not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     40
  No category defined for _atom_type_oxidation_number
 ciftbx warning: test.cif data_mumbo_jumbo line:     41
  Data name _atom_type_number_in_cell not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     41
  No category defined for _atom_type_number_in_cell
 ciftbx warning: test.cif data_mumbo_jumbo line:     42
  Data name _atom_type_scat_dispersion_real not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     42
  No category defined for _atom_type_scat_dispersion_real
 ciftbx warning: test.cif data_mumbo_jumbo line:     43
  Data name _atom_type_scat_dispersion_imag not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     43
  No category defined for _atom_type_scat_dispersion_imag
 ciftbx warning: test.cif data_mumbo_jumbo line:     44
  Data name _atom_type_scat_source not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     44
  No category defined for _atom_type_scat_source
 ciftbx warning: test.cif data_mumbo_jumbo line:     52
  Data name _atom_site_label not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     52
  No category defined for _atom_site_label
 ciftbx warning: test.cif data_mumbo_jumbo line:     53
  Data name _atom_site_fract_x not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     53
  No category defined for _atom_site_fract_x
 ciftbx warning: test.cif data_mumbo_jumbo line:     54
  Data name _atom_site_fract_y not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     54
  No category defined for _atom_site_fract_y
 ciftbx warning: test.cif data_mumbo_jumbo line:     55
  Data name _atom_site_fract_z not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     55
  No category defined for _atom_site_fract_z
 ciftbx warning: test.cif data_mumbo_jumbo line:     56
  Data name _atom_site_u_iso_or_equiv not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     56
  No category defined for _atom_site_u_iso_or_equiv
 ciftbx warning: test.cif data_mumbo_jumbo line:     57
  Data name _atom_site_thermal_displace_type not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     57
  No category defined for _atom_site_thermal_displace_type
 ciftbx warning: test.cif data_mumbo_jumbo line:     58
  Data name _atom_site_calc_flag not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     58
  No category defined for _atom_site_calc_flag
 ciftbx warning: test.cif data_mumbo_jumbo line:     59
  Data name _atom_site_calc_attached_atom not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     59
  No category defined for _atom_site_calc_attached_atom
 ciftbx warning: test.cif data_mumbo_jumbo line:     60
  Data name _atom_site_type_symbol not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     60
  No category defined for _atom_site_type_symbol
 ciftbx warning: test.cif data_mumbo_jumbo line:     66
  Data name _atom_site_aniso_label not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     66
  No category defined for _atom_site_aniso_label
 ciftbx warning: test.cif data_mumbo_jumbo line:     67
  Data name _atom_site_aniso_u_11 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     67
  No category defined for _atom_site_aniso_u_11
 ciftbx warning: test.cif data_mumbo_jumbo line:     68
  Data name _atom_site_aniso_u_22 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     68
  No category defined for _atom_site_aniso_u_22
 ciftbx warning: test.cif data_mumbo_jumbo line:     69
  Data name _atom_site_aniso_u_33 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     69
  No category defined for _atom_site_aniso_u_33
 ciftbx warning: test.cif data_mumbo_jumbo line:     70
  Data name _atom_site_aniso_u_12 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     70
  No category defined for _atom_site_aniso_u_12
 ciftbx warning: test.cif data_mumbo_jumbo line:     71
  Data name _atom_site_aniso_u_13 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     71
  No category defined for _atom_site_aniso_u_13
 ciftbx warning: test.cif data_mumbo_jumbo line:     72
  Data name _atom_site_aniso_u_23 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     72
  No category defined for _atom_site_aniso_u_23
 ciftbx warning: test.cif data_mumbo_jumbo line:     73
  Data name _atom_site_aniso_type_symbol not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     73
  No category defined for _atom_site_aniso_type_symbol
 ciftbx warning: test.cif data_mumbo_jumbo line:     77
  Data name _blat1 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     77
  No category defined for _blat1
 ciftbx warning: test.cif data_mumbo_jumbo line:     77
  Data name _blat2 not in dictionary!
 ciftbx warning: test.cif data_mumbo_jumbo line:     77
  No category defined for _blat2



 Access items in data block  mumbo_jumbo                                                                


 Atom coordinates and Uij

 s     0.2020  0.7980  0.9167  0.0350  0.0250  0.0250  0.0130  0.0000  0.0000
 o     0.4980  0.4980  0.6667
 c1    0.4880  0.0960  0.0380

                                   null    1    3

                                   null    1    3

                                   null    1    3

                                   null    1    3

                                   null    1    3

                                   null    1    3

_dummy_test                        char   17    0
will it work here

_audit_creation_date               char    8    0
91-03-20

_audit_creation_method             char   34    0
from_xtal_archive_file_using_CIFIO

_audit_update_record               text   56    0
  91-04-09           text and data added by Tony Willis.                        
  91-04-15           rec'd by co-editor with diagram as manuscript HL7.         
  91-04-17           adjustments based on first referees report.                
  91-04-18           adjustments based on second referee's report.              

_chemical_name_systematic          char   65    0
trans-3-Benzoyl-2-(tert-butyl)-4-(iso-butyl)-1,3-oxazolidin-5-one

_chemical_formula_moiety           char   12    0
C18 H25 N O3

_chemical_formula_sum              char   12    0
C18 H25 N O3

_chemical_formula_weight           numb    6    0
  303.4000    0.0000

_chemical_melting_point            null    1    0

_cell_length_a                     null    1    0

_cell_length_b                     numb    9    0
   14.9560    0.0010

_cell_length_c                     numb    9    0
   19.7370    0.0030

_cell_angle_alpha                  numb    2    0
   90.0000    0.0000

_cell_angle_beta                   numb    2    0
   90.0000    0.0000

_cell_angle_gamma                  numb    2    0
   90.0000    0.0000

_cell_volume                       numb    9    0
 1759.0000    0.3000

_cell_formula_units_Z              numb    1    0
    4.0000    0.0000

_cell_measurement_temperature      numb    3    0
  293.0000    0.0000

_cell_measurement_reflns_used      numb    2    0
   25.0000    0.0000

_cell_measurement_theta_min        numb    2    0
   25.0000    0.0000

_cell_measurement_theta_max        numb    2    0
   31.0000    0.0000

                                   null    1    0

_blat2                             char    1    4
2

_blat1                             char    1    4
1

_blat2                             char    1    4
4

_blat1                             char    1    4
3

_blat2                             char    1    4
6

_blat1                             char    1    4
5

_blat2                             char    1    4
b

_blat1                             char    1    4
a

_blat2                             char    1    4
d

_blat1                             char    1    4
c

                                   null    1    4

_symmetry_cell_setting             char   12    0
orthorhombic

_symmetry_space_group_name_H-M     char   10    0
P 21 21 21

_symmetry_space_group_name_Hall    char    9    0
P_2ac_2ab

                                   null    1    0

_atom_type_symbol                  char    1    1
S

_atom_type_oxidation_number        numb    1    1
    0.0000    0.0000

_atom_type_number_in_cell          numb    1    1
    6.0000    0.0000

_atom_type_scat_dispersion_real    numb    7    1
    0.3190    0.0000

_atom_type_scat_dispersion_imag    numb    4    1
    0.5570    0.0000

_atom_type_scat_source             char   32    1
Int_Tab_Vol_III_p202_Tab._3.3.1a

_atom_type_symbol                  char    1    1
O

_atom_type_oxidation_number        numb    1    1
    0.0000    0.0000

_atom_type_number_in_cell          numb    1    1
    6.0000    0.0000

_atom_type_number_in_cell          numb    2    1
   20.0000    0.0000

_atom_type_oxidation_number        numb    1    1
    0.0000    0.0000

_atom_type_scat_dispersion_real    numb    4    1
    0.0170    0.0000

                                   null    1    1

                                   null    1    1

_atom_site_label                   char    1    2
s

_atom_site_fract_x                 numb    6    2
    0.2020    0.0000

_atom_site_fract_y                 numb    6    2
    0.7980    0.0000

_atom_site_fract_z                 numb    6    2
    0.9167    0.0000

_atom_site_U_iso_or_equiv          numb    7    2
    0.0300    0.0030

_atom_site_thermal_displace_type   char   15    2
anisotropic Uij

_atom_site_calc_flag               null    1    2

_atom_site_calc_attached_atom      null    1    2

_atom_site_type_symbol             char    1    2
s

_atom_site_type_symbol             char    1    2
o

_atom_site_type_symbol             char    1    2
c

_atom_site_type_symbol             char    1    2
s

_rubish_here                       null    1    2

_atom_site_type_symbol             char    1    2
o

_atom_site_type_symbol             char    1    2
c

_atom_site_type_symbol             char    1    2
s

_symmetry_space_group_name_Hall    char    9    0
P_2ac_2ab

_atom_site_type_symbol             char    1    2
s

_atom_site_type_symbol             char    1    2
o

_atom_site_type_symbol             char    1    2
c

_atom_site_type_symbol             char    1    2
s

                                   null    1    2

_atom_site_aniso_label             char    1    3
s

_atom_site_aniso_U_11              numb    7    3
    0.0350    0.0040

_atom_site_aniso_U_22              numb    7    3
    0.0250    0.0030

_atom_site_aniso_U_33              numb    7    3
    0.0250    0.0030

_atom_site_aniso_U_12              numb    7    3
    0.0130    0.0010

_atom_site_aniso_U_13              numb    6    3
    0.0000    0.0000

_atom_site_aniso_U_23              numb    6    3
    0.0000    0.0000

_atom_site_aniso_type_symbol       char    1    3
s

_atom_site_aniso_U_12              numb    7    3
    0.0130    0.0010

_atom_site_aniso_U_12              numb    7    3
    0.0130    0.0010

_atom_site_aniso_U_12              numb    7    3
    0.0130    0.0010

                                   null    1    3

                                   null    1    3

                                   null    1    3

                                   null    1    3

                                   null    1    3
