data_[Ga2Bi2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5499]
_cell_length_b [5.5737]
_cell_length_c [9.3383]
_cell_angle_alpha [95.8505]
_cell_angle_beta [95.2771]
_cell_angle_gamma [99.2379]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [GaBiI]
_chemical_formula_sum '[Ga2 Bi2 I2]'
_cell_volume [231.1059]
_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
[
  Ga  Ga0  2  0.2828  0.0189  0.9060  1
  Bi  Bi1  2  0.1353  0.6714  0.1378  1
  I  I2  2  0.3410  0.7300  0.6676  1
]