data_[Cu8Sb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.2783]
_cell_length_b [13.1189]
_cell_length_c [6.3495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Cu2SbS3]
_chemical_formula_sum '[Cu8 Sb4 S12]'
_cell_volume [497.4559]
_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  4  0.4865  0.9249  0.9866  1
  Cu  Cu1  4  0.4932  0.2315  0.9936  1
  Sb  Sb2  4  0.4592  0.3991  0.5155  1
  S  S3  4  0.3643  0.3796  0.1082  1
  S  S4  4  0.3654  0.7783  0.1166  1
  S  S5  4  0.3839  0.0793  0.1081  1
]