data_[Cu2Ag6Sb6S16]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1770]
_cell_length_b [7.6374]
_cell_length_c [7.7708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuAg3Sb3S8]
_chemical_formula_sum '[Cu2 Ag6 Sb6 S16]'
_cell_volume [643.6724]
_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  0.0000  0.5000  1.0
  Ag  Ag1  4  0.2500  0.2500  0.0000  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.2500  0.2500  0.5000  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  S  S5  8  0.0003  0.2370  0.2652  1.0
  S  S6  4  0.2247  0.0000  0.7244  1.0
  S  S7  4  0.2494  0.0000  0.2488  1.0
]