data_[In2Bi13]
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 [P-1]
_cell_length_a [6.5395]
_cell_length_b [8.5842]
_cell_length_c [9.9747]
_cell_angle_alpha [66.0449]
_cell_angle_beta [77.3179]
_cell_angle_gamma [88.2938]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In2Bi13]
_chemical_formula_sum '[In2 Bi13]'
_cell_volume [498.1213]
_cell_formula_units_Z [1]
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  2  0.2232  0.2380  0.6587  1.0
  Bi  Bi1  2  0.0004  0.1832  0.3504  1.0
  Bi  Bi2  2  0.1593  0.5849  0.1064  1.0
  Bi  Bi3  2  0.2194  0.6552  0.4152  1.0
  Bi  Bi4  2  0.3540  0.4196  0.8694  1.0
  Bi  Bi5  2  0.3827  0.0296  0.1501  1.0
  Bi  Bi6  2  0.4979  0.1980  0.3682  1.0
  Bi  Bi7  1  0.0000  0.0000  0.0000  1.0
]