data_[Nd4Fe2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4278]
_cell_length_b [5.7297]
_cell_length_c [9.4402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2FeIrO6]
_chemical_formula_sum '[Nd4 Fe2 Ir2 O12]'
_cell_volume [242.1112]
_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
[
  Nd  Nd0  4  0.2687  0.0659  0.7498  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  Ir  Ir2  2  0.5000  0.0000  0.5000  1
  O  O3  4  0.1454  0.0289  0.2462  1
  O  O4  4  0.2442  0.7067  0.0514  1
  O  O5  4  0.3526  0.1965  0.0497  1
]