Core dictionary (coreCIF) version 2.4.5
'_geom_angle_site_symmetry_1' '_geom_angle_site_symmetry_2' '_geom_angle_site_symmetry_3'
The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'klm'. These numbers are combined to form the code 'n klm' or n_klm. The character string n_klm is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site_fract_x, _atom_site_fract_y and _atom_site_fract_z. It must match a number given in _space_group_symop_id. k, l and m refer to the translations that are subsequently applied to the symmetry-transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (k,l,m) by the relations k = 5 + x l = 5 + y m = 5 + z By adding 5 to the translations, the use of negative numbers is avoided.Examples:
|.||no symmetry or translation to site|
|4||4th symmetry operation applied|
|7_645||7th symm. posn.; +a on x; -b on y|
Appears in list containing _geom_angle_atom_site_label_