data_[Ir6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.2195]
_cell_length_b [9.4055]
_cell_length_c [17.8042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [IrN]
_chemical_formula_sum '[Ir6 N6]'
_cell_volume [874.0341]
_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
[
  Ir  Ir0  4  0.1148  0.4509  0.4212  1
  Ir  Ir1  2  0.0000  0.6580  0.5000  1
  N  N2  4  0.2129  0.2639  0.4665  1
  N  N3  2  0.0000  0.3200  0.5000  1
]