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 [P-1]
_cell_length_a [3.3302]
_cell_length_b [5.9879]
_cell_length_c [8.8039]
_cell_angle_alpha [107.0240]
_cell_angle_beta [100.4955]
_cell_angle_gamma [90.7778]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InGaBi]
_chemical_formula_sum '[In2 Ga2 Bi2]'
_cell_volume [164.6387]
_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  2  0.0719  0.7967  0.6342  1.0
  Ga  Ga1  2  0.2465  0.1847  0.0020  1.0
  Bi  Bi2  2  0.3706  0.6495  0.2572  1.0
]