data_[Ga4Bi4I4]
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 [Cm]
_cell_length_a [12.5562]
_cell_length_b [4.4227]
_cell_length_c [8.6501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaBiI]
_chemical_formula_sum '[Ga4 Bi4 I4]'
_cell_volume [434.9419]
_cell_formula_units_Z [4]
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  0.0608  0.0000  0.4288  1
  Ga  Ga1  2  0.1665  0.0000  0.0435  1
  Bi  Bi2  2  0.3083  0.0000  0.5868  1
  Bi  Bi3  2  0.3203  0.5000  0.3498  1
  I  I4  2  0.1411  0.5000  0.7748  1
  I  I5  2  0.4905  0.0000  0.1543  1
]