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 [4.5514]
_cell_length_b [5.5727]
_cell_length_c [9.3261]
_cell_angle_alpha [95.8133]
_cell_angle_beta [95.2787]
_cell_angle_gamma [99.2761]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [GaBiI]
_chemical_formula_sum '[Ga2 Bi2 I2]'
_cell_volume [230.8315]
_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  0.2826  0.0186  0.9062  1.0
  Bi  Bi1  2  0.1354  0.6714  0.1376  1.0
  I  I2  2  0.3411  0.7301  0.6676  1.0
]