data_[Ba16Sn16Bi16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.1932]
_cell_length_b [13.4427]
_cell_length_c [17.5948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [BaSnBi]
_chemical_formula_sum '[Ba16 Sn16 Bi16]'
_cell_volume [1937.8652]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.3068  1
  Sn  Sn1  16  0.1250  0.1250  0.1250  1
  Bi  Bi2  16  0.0609  0.2500  0.7500  1
]