data_[Cu2Ag10S8]
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 [C2/m]
_cell_length_a [16.9706]
_cell_length_b [3.5974]
_cell_length_c [6.7735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuAg5S4]
_chemical_formula_sum '[Cu2 Ag10 S8]'
_cell_volume [382.9286]
_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  0.0000  0.5000  0.0000  1
  Ag  Ag1  4  0.1856  0.0000  0.1169  1
  Ag  Ag2  4  0.1947  0.0000  0.5639  1
  Ag  Ag3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.0576  0.0000  0.2168  1
  S  S5  4  0.1507  0.5000  0.7850  1
]