data_whoops_a_daisy _audit_creation_method 'using CIFtbx' _audit_creation_extra1 using_CIFtbx #< not in dictionary _audit_creation_extra2 "Terry O'Connell" #< not in dictionary _audit_creation_extra3 'Terry O"Connell' #< not in dictionary _audit_creation_record #< not in dictionary ; Text data may be entered like this or in a loop. ; _cell_measurement_temperature 293 _cell_volume 1759(13) _cell_length_junk 8.753535 #< not in dictionary _cell_length_c 19.736(3) loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell a 1.0(1) 8.645230 ab 2.0(2) 17.290460 abc 3.0(3) 25.935691 abcd 4.0(4) 34.580921 abcde 5.0(5) 43.226150 abcdef 6.0(6) 51.871383 abcdefg 7.0(6) 60.516613 abcdefgh 8.0(8) 69.161842 abcdefghi 9.0(9) 77.807075 abcdefghij 10(1) 86.452301 loop_ _atom_type_symbol _atom_type_oxidation_number _some_silly_text #< not in dictionary a 1.0(1) ; Hi Ho the diddly oh! ; ab 2.0(2) ; Hi Ho the diddly oh! ; abc 3.0(3) ; Hi Ho the diddly oh! ;