data_[Ga4Bi8I24]
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 [C2/c]
_cell_length_a [17.1023]
_cell_length_b [13.7981]
_cell_length_c [12.6579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.6105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga(BiI3)2]
_chemical_formula_sum '[Ga4 Bi8 I24]'
_cell_volume [2301.1722]
_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  0.0000  0.0995  0.7500  1
  Bi  Bi1  8  0.1289  0.4475  0.7352  1
  I  I2  8  0.1145  0.4890  0.9753  1
  I  I3  8  0.1192  0.2390  0.6999  1
  I  I4  8  0.1466  0.9672  0.5733  1
]