data_[La12Ir2Pd4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8813]
_cell_length_b [7.6146]
_cell_length_c [12.4963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6IrPd2N]
_chemical_formula_sum '[La12 Ir2 Pd4 N2]'
_cell_volume [549.2546]
_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  4  0.0983  0.1968  0.9384  1.0
  La  La1  4  0.2441  0.6719  0.9358  1.0
  La  La2  4  0.3681  0.0384  0.7387  1.0
  Pd  Pd3  4  0.1931  0.1019  0.2439  1.0
  Ir  Ir4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]