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 [Amm2]
_cell_length_a [4.5587]
_cell_length_b [7.9914]
_cell_length_c [13.3757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [GaBiI]
_chemical_formula_sum '[Ga4 Bi4 I4]'
_cell_volume [487.2813]
_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  4  0.5000  0.2171  0.0060  1.0
  Bi  Bi1  4  0.0000  0.1928  0.1238  1.0
  I  I2  2  0.5000  0.0000  0.3843  1.0
  I  I3  2  0.5000  0.0000  0.8439  1.0
]