data_[Cu8Bi2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [7.5578]
_cell_length_b [7.5578]
_cell_length_c [6.1904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Cu4BiS5]
_chemical_formula_sum '[Cu8 Bi2 S10]'
_cell_volume [353.5987]
_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  0.1086  0.3068  0.4526  1
  Bi  Bi1  2  0.0000  0.0000  0.9210  1
  S  S2  8  0.1255  0.3248  0.0726  1
  S  S3  2  0.0000  0.0000  0.4678  1
]