data_[Ba12Sn8Bi16]
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 [C2/c]
_cell_length_a [15.6196]
_cell_length_b [12.9733]
_cell_length_c [7.3115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3(SnBi2)2]
_chemical_formula_sum '[Ba12 Sn8 Bi16]'
_cell_volume [1480.1530]
_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  0.1309  0.1280  0.4041  1.0
  Ba  Ba1  4  0.0000  0.3966  0.7500  1.0
  Sn  Sn2  8  0.2129  0.3718  0.0259  1.0
  Bi  Bi3  8  0.0868  0.1533  0.9001  1.0
  Bi  Bi4  8  0.1558  0.4085  0.4054  1.0
]