data_[In12O6]
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 [P31m]
_cell_length_a [8.9298]
_cell_length_b [8.9298]
_cell_length_c [18.4643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [In2O]
_chemical_formula_sum '[In12 O6]'
_cell_volume [1275.1239]
_cell_formula_units_Z [6]
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  6  0.2100  0.7876  0.5896  1
  In  In1  3  0.0000  0.7553  0.4019  1
  In  In2  2  0.3333  0.6667  0.4223  1
  In  In3  1  0.0000  0.0000  0.5710  1
  O  O4  6  0.2039  0.7819  0.4735  1
]