data_[Cu32Te4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.9386]
_cell_length_b [9.9386]
_cell_length_c [9.9386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Cu8TeS5]
_chemical_formula_sum '[Cu32 Te4 S20]'
_cell_volume [981.6980]
_cell_formula_units_Z [4]
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  16  0.1017  0.1017  0.6017  1.0
  Cu  Cu1  16  0.1307  0.1307  0.1307  1.0
  Te  Te2  4  0.2500  0.2500  0.7500  1.0
  S  S3  16  0.1303  0.1303  0.3697  1.0
  S  S4  4  0.0000  0.0000  0.0000  1.0
]