data_[Cr2Ag2P4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.3924]
_cell_length_b [11.0703]
_cell_length_c [7.6340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CrAg(PSe3)2]
_chemical_formula_sum '[Cr2 Ag2 P4 Se12]'
_cell_volume [520.8604]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cr  Cr0  2  0.0000  0.6668  0.0000  1.0
  Ag  Ag1  2  0.0000  0.3328  0.0000  1.0
  P  P2  4  0.0480  0.0001  0.1510  1.0
  Se  Se3  4  0.2092  0.8216  0.2318  1.0
  Se  Se4  4  0.2266  0.6573  0.7686  1.0
  Se  Se5  4  0.2376  0.5213  0.2313  1.0
]