data_[Nd12Ir4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.9275]
_cell_length_b [7.4037]
_cell_length_c [7.5109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3IrO7]
_chemical_formula_sum '[Nd12 Ir4 O28]'
_cell_volume [607.6625]
_cell_formula_units_Z [4]
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  8  0.2217  0.3079  0.2500  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Ir  Ir2  4  0.0000  0.5000  0.0000  1
  O  O3  16  0.1266  0.3128  0.5416  1
  O  O4  8  0.1313  0.0268  0.2500  1
  O  O5  4  0.0000  0.4072  0.2500  1
]