data_[Ba8In4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4262]
_cell_length_b [4.9514]
_cell_length_c [13.5606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2InBi2]
_chemical_formula_sum '[Ba8 In4 Bi8]'
_cell_volume [813.8154]
_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  4  0.0828  0.0000  0.9135  1
  Ba  Ba1  4  0.1848  0.5000  0.6542  1
  In  In2  4  0.0673  0.5000  0.2874  1
  Bi  Bi3  4  0.0617  0.0000  0.4089  1
  Bi  Bi4  4  0.1700  0.5000  0.1319  1
]