data_[La2P2Ir2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [P4/nmm]
_cell_length_a [3.9517]
_cell_length_b [3.9517]
_cell_length_c [8.2407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [LaPIrN]
_chemical_formula_sum '[La2 P2 Ir2 N2]'
_cell_volume [128.6837]
_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
[
  La  La0  2  0.0000  0.5000  0.8361  1.0
  P  P1  2  0.0000  0.5000  0.3388  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  N  N3  2  0.0000  0.5000  0.1354  1.0
]