data_[In16O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [5.5449]
_cell_length_b [5.6907]
_cell_length_c [15.9938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [In2O3]
_chemical_formula_sum '[In16 O24]'
_cell_volume [504.6762]
_cell_formula_units_Z [8]
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  0.0009  0.7100  0.4302  1
  In  In1  8  0.0018  0.2358  0.8177  1
  O  O2  8  0.1399  0.1292  0.2016  1
  O  O3  8  0.1469  0.6548  0.5526  1
  O  O4  8  0.2060  0.5167  0.8754  1
]