data_[Ba8Cr4Bi4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.0368]
_cell_length_b [10.0368]
_cell_length_c [10.0368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ba2CrBiS6]
_chemical_formula_sum '[Ba8 Cr4 Bi4 S24]'
_cell_volume [1011.0791]
_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
[
  Ba  Ba0  8  0.2500  0.2500  0.2500  1
  Cr  Cr1  4  0.0000  0.0000  0.5000  1
  Bi  Bi2  4  0.0000  0.0000  0.0000  1
  S  S3  24  0.0000  0.0000  0.2674  1
]