data_[In4Ga2I2O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.5638]
_cell_length_b [7.0345]
_cell_length_c [6.4679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [In2GaIO8]
_chemical_formula_sum '[In4 Ga2 I2 O16]'
_cell_volume [298.6403]
_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
[
  In  In0  4  0.0000  0.5000  0.2574  1.0
  Ga  Ga1  2  0.0000  0.0000  0.5000  1.0
  I  I2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0000  0.1793  0.2235  1.0
  O  O4  4  0.2094  0.5000  0.0000  1.0
  O  O5  4  0.2147  0.5000  0.5000  1.0
]