data_[Nd2Cd4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  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 [5.7247]
_cell_length_b [5.7986]
_cell_length_c [10.0243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NdCd2IrO6]
_chemical_formula_sum '[Nd2 Cd4 Ir2 O12]'
_cell_volume [273.1394]
_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  2  0.5000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.2564  0.0379  0.2571  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0843  0.2123  0.9286  1.0
  O  O4  4  0.2429  0.6635  0.9494  1.0
  O  O5  4  0.3369  0.0745  0.7246  1.0
]