data_[Ir4N6]
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 [Cm]
_cell_length_a [9.6065]
_cell_length_b [3.0879]
_cell_length_c [18.5581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ir2N3]
_chemical_formula_sum '[Ir4 N6]'
_cell_volume [550.5018]
_cell_formula_units_Z [2]
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  2  0.0102  0.0000  0.5472  1
  Ir  Ir1  2  0.2976  0.5000  0.4535  1
  N  N2  2  0.1259  0.5000  0.5007  1
  N  N3  2  0.3325  0.0000  0.4034  1
  N  N4  2  0.4551  0.0000  0.5951  1
]