data_[Cu3Ag3P2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3008]
_cell_length_b [6.4204]
_cell_length_c [7.7331]
_cell_angle_alpha [89.6184]
_cell_angle_beta [89.6732]
_cell_angle_gamma [89.6157]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cu3Ag3(PS4)2]
_chemical_formula_sum '[Cu3 Ag3 P2 S8]'
_cell_volume [312.8152]
_cell_formula_units_Z [1]
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
[
  Cu  Cu0  1  0.0149  0.3261  0.7506  1.0
  Cu  Cu1  1  0.5014  0.6981  0.2538  1.0
  Cu  Cu2  1  0.5073  0.6786  0.7494  1.0
  Ag  Ag3  1  0.0126  0.8448  0.5034  1.0
  Ag  Ag4  1  0.0203  0.3166  0.2442  1.0
  Ag  Ag5  1  0.4983  0.1353  0.9954  1.0
  P  P6  1  0.5063  0.1873  0.5053  1.0
  P  P7  1  0.9938  0.8139  0.9952  1.0
  S  S8  1  0.3262  0.7753  0.9994  1.0
  S  S9  1  0.3755  0.3409  0.7206  1.0
  S  S10  1  0.4122  0.8721  0.5044  1.0
  S  S11  1  0.4132  0.3421  0.2804  1.0
  S  S12  1  0.8326  0.2030  0.5178  1.0
  S  S13  1  0.8658  0.6867  0.2196  1.0
  S  S14  1  0.8729  0.6558  0.7805  1.0
  S  S15  1  0.9029  0.1234  0.9798  1.0
]