data_[In3N3]
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
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5434]
_cell_length_b [4.2947]
_cell_length_c [18.4188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [InN]
_chemical_formula_sum '[In3 N3]'
_cell_volume [280.2982]
_cell_formula_units_Z [3]
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  2  0.5000  0.5000  0.0928  1
  In  In1  1  0.0000  0.0000  0.0000  1
  N  N2  2  0.5000  0.0000  0.0842  1
  N  N3  1  0.0000  0.5000  0.0000  1
]