data_[In12Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1854]
_cell_length_b [8.9551]
_cell_length_c [7.1766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In3Bi2]
_chemical_formula_sum '[In12 Bi8]'
_cell_volume [663.5286]
_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
[
  In  In0  8  0.1384  0.3761  0.5036  1.0
  In  In1  4  0.0000  0.0211  0.2500  1.0
  Bi  Bi2  8  0.1364  0.2757  0.0687  1.0
]