data_[Cu2Ag8Sn6S16]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2823]
_cell_length_b [7.5047]
_cell_length_c [7.7452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuAg4Sn3S8]
_chemical_formula_sum '[Cu2 Ag8 Sn6 S16]'
_cell_volume [634.0830]
_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
  Ag  Ag3  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn4  4  0.2500  0.2500  0.5000  1.0
  Sn  Sn5  2  0.0000  0.5000  0.5000  1.0
  S  S6  8  0.0031  0.2238  0.2821  1.0
  S  S7  4  0.2273  0.5000  0.2336  1.0
  S  S8  4  0.2489  0.5000  0.7485  1.0
]