data_[In12N8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.2558]
_cell_length_b [10.8320]
_cell_length_c [6.2776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [In3N2O]
_chemical_formula_sum '[In12 N8 O4]'
_cell_volume [400.7335]
_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  4  0.1286  0.4168  0.3800  1
  In  In1  4  0.1406  0.2549  0.8792  1
  In  In2  4  0.1411  0.0859  0.3880  1
  N  N3  4  0.0123  0.2505  0.5087  1
  N  N4  4  0.0144  0.4168  0.0094  1
  O  O5  4  0.0106  0.0864  0.0060  1
]