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 [6.7314]
_cell_length_b [8.4338]
_cell_length_c [9.8559]
_cell_angle_alpha [66.1850]
_cell_angle_beta [77.6363]
_cell_angle_gamma [88.9063]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In2Bi13]
_chemical_formula_sum '[In2 Bi13]'
_cell_volume [498.5945]
_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  0.2218  0.2388  0.6553  1
  Bi  Bi1  2  0.0017  0.8145  0.6517  1
  Bi  Bi2  2  0.1574  0.5804  0.1087  1
  Bi  Bi3  2  0.2231  0.6544  0.4177  1
  Bi  Bi4  2  0.3533  0.4164  0.8719  1
  Bi  Bi5  2  0.3822  0.0329  0.1492  1
  Bi  Bi6  2  0.4973  0.1991  0.3716  1
  Bi  Bi7  1  0.0000  0.0000  0.0000  1
]