data_[Cu4Ag2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.3939]
_cell_length_b [4.8437]
_cell_length_c [6.8817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Cu2AgS2]
_chemical_formula_sum '[Cu4 Ag2 S4]'
_cell_volume [201.2427]
_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  2  0.1416  0.0201  0.3245  1.0
  Cu  Cu1  2  0.2200  0.4999  0.4915  1.0
  Ag  Ag2  2  0.5581  0.2814  0.8424  1.0
  S  S3  2  0.4809  0.2316  0.4559  1.0
  S  S4  2  0.9743  0.2046  0.0106  1.0
]