data_[Ir10N12]
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 [P6mm]
_cell_length_a [8.2111]
_cell_length_b [8.2111]
_cell_length_c [18.6075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Ir5N6]
_chemical_formula_sum '[Ir10 N12]'
_cell_volume [1086.4647]
_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  6  0.0000  0.2992  0.4288  1
  Ir  Ir1  3  0.0000  0.5000  0.5411  1
  Ir  Ir2  1  0.0000  0.0000  0.4924  1
  N  N3  6  0.2411  0.4822  0.5682  1
  N  N4  3  0.0000  0.5000  0.3886  1
  N  N5  2  0.3333  0.6667  0.5770  1
  N  N6  1  0.0000  0.0000  0.5825  1
]