data_[Cu4Ag2P2S8]
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 [Pmn2_1]
_cell_length_a [7.6819]
_cell_length_b [6.3276]
_cell_length_c [6.2244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cu2AgPS4]
_chemical_formula_sum '[Cu4 Ag2 P2 S8]'
_cell_volume [302.5592]
_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
[
  Cu  Cu0  4  0.2486  0.1812  0.0085  1.0
  Ag  Ag1  2  0.0000  0.3544  0.5090  1.0
  P  P2  2  0.0000  0.6870  0.0003  1.0
  S  S3  4  0.2207  0.8379  0.8763  1.0
  S  S4  2  0.0000  0.3662  0.9147  1.0
  S  S5  2  0.0000  0.7210  0.3349  1.0
]