data_[Cu10Ag2S8]
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 [Pmmn]
_cell_length_a [7.5882]
_cell_length_b [8.9408]
_cell_length_c [5.3372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cu5AgS4]
_chemical_formula_sum '[Cu10 Ag2 S8]'
_cell_volume [362.1043]
_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  8  0.2385  0.1610  0.1773  1.0
  Cu  Cu1  2  0.0000  0.5000  0.2870  1.0
  Ag  Ag2  2  0.0000  0.0000  0.8039  1.0
  S  S3  4  0.0000  0.2868  0.0278  1.0
  S  S4  4  0.2495  0.5000  0.5148  1.0
]