data_[La1Nd1P2Ir2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  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 [P4mm]
_cell_length_a [4.0324]
_cell_length_b [4.0324]
_cell_length_c [8.7780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LaNdP2(IrN)2]
_chemical_formula_sum '[La1 Nd1 P2 Ir2 N2]'
_cell_volume [142.7330]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1328  1
  Nd  Nd1  1  0.5000  0.5000  0.8625  1
  P  P2  1  0.0000  0.0000  0.6476  1
  P  P3  1  0.5000  0.5000  0.3583  1
  Ir  Ir4  2  0.0000  0.5000  0.5032  1
  N  N5  2  0.0000  0.5000  0.9962  1
]