data_[In2Ga2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7611]
_cell_length_b [5.4195]
_cell_length_c [7.0175]
_cell_angle_alpha [84.6680]
_cell_angle_beta [87.9104]
_cell_angle_gamma [67.3851]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InGaBi]
_chemical_formula_sum '[In2 Ga2 Bi2]'
_cell_volume [166.4251]
_cell_formula_units_Z [2]
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  1  0.3124  0.4647  0.2541  1.0
  In  In1  1  0.6431  0.7684  0.9127  1.0
  Ga  Ga2  1  0.6361  0.7859  0.4433  1.0
  Ga  Ga3  1  0.9776  0.0661  0.5808  1.0
  Bi  Bi4  1  0.2968  0.4202  0.7027  1.0
  Bi  Bi5  1  0.9862  0.0969  0.1336  1.0
]