data_[In6Bi6]
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 [Imm2]
_cell_length_a [4.3710]
_cell_length_b [12.4510]
_cell_length_c [6.9250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [InBi]
_chemical_formula_sum '[In6 Bi6]'
_cell_volume [376.8784]
_cell_formula_units_Z [6]
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  4  0.0000  0.3351  0.1698  1.0
  In  In1  2  0.0000  0.0000  0.4075  1.0
  Bi  Bi2  4  0.0000  0.3543  0.6981  1.0
  Bi  Bi3  2  0.0000  0.0000  0.8585  1.0
]