data_[In18N6O18]
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 [R-3m]
_cell_length_a [6.5302]
_cell_length_b [6.5302]
_cell_length_c [16.2432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [In3NO3]
_chemical_formula_sum '[In18 N6 O18]'
_cell_volume [599.8752]
_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  9  0.0000  0.5000  0.0000  1.0
  In  In1  6  0.0000  0.0000  0.1351  1.0
  In  In2  3  -0.0000  -0.0000  0.5000  1.0
  N  N3  6  0.0000  0.0000  0.2663  1.0
  O  O4  18  0.0185  0.5092  0.2487  1.0
]