data_[Ce6P4Ir4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8547]
_cell_length_b [3.8547]
_cell_length_c [21.3442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ce3P2Ir2N3]
_chemical_formula_sum '[Ce6 P4 Ir4 N6]'
_cell_volume [317.1495]
_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
[
  Ce  Ce0  4  0.0000  0.0000  0.3846  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  P  P2  4  0.0000  0.0000  0.1875  1
  Ir  Ir3  4  0.0000  0.5000  0.2500  1
  N  N4  4  0.0000  0.0000  0.1095  1
  N  N5  2  0.0000  0.0000  0.5000  1
]