data_[In8Ga4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9536]
_cell_length_b [14.2724]
_cell_length_c [9.1975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In2GaI6]
_chemical_formula_sum '[In8 Ga4 I24]'
_cell_volume [1947.2366]
_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
[
  In  In0  8  0.2096  0.3987  0.7449  1
  Ga  Ga1  4  0.0000  0.0890  0.7500  1
  I  I2  8  0.1012  0.0985  0.1432  1
  I  I3  8  0.1387  0.4992  0.4480  1
  I  I4  8  0.1544  0.2102  0.7007  1
]