data_[Ir4N6F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.2176]
_cell_length_b [2.7991]
_cell_length_c [18.3225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ir2N3F]
_chemical_formula_sum '[Ir4 N6 F2]'
_cell_volume [729.1666]
_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  0.1518  0.5000  0.4458  1
  Ir  Ir1  2  0.4667  0.5000  0.5370  1
  N  N2  2  0.0624  0.0000  0.4668  1
  N  N3  2  0.2870  0.5000  0.4500  1
  N  N4  2  0.3628  0.5000  0.4732  1
  F  F5  2  0.0326  0.0000  0.6272  1
]