data_[Ba12Bi20Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [13.4730]
_cell_length_b [16.2812]
_cell_length_c [7.3473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ba3Bi5Sb2]
_chemical_formula_sum '[Ba12 Bi20 Sb8]'
_cell_volume [1611.6774]
_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  0.2141  0.3547  0.0000  1
  Ba  Ba1  4  0.0000  0.0000  0.2500  1
  Bi  Bi2  8  0.0000  0.2108  0.2500  1
  Bi  Bi3  8  0.0943  0.3526  0.5000  1
  Bi  Bi4  4  0.0000  0.5000  0.2500  1
  Sb  Sb5  8  0.1740  0.1263  0.0000  1
]