data_[Ba8Nd2Ir6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/m]
_cell_length_a [10.4255]
_cell_length_b [5.9951]
_cell_length_c [10.8303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4Nd(IrO4)3]
_chemical_formula_sum '[Ba8 Nd2 Ir6 O24]'
_cell_volume [625.8102]
_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
[
  Ba  Ba0  4  0.1280  0.0000  0.3870  1.0
  Ba  Ba1  4  0.2234  0.5000  0.1457  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  4  0.0699  0.5000  0.7546  1.0
  Ir  Ir4  2  0.0000  0.5000  0.5000  1.0
  O  O5  8  0.0148  0.2647  0.8521  1.0
  O  O6  8  0.1168  0.2678  0.6356  1.0
  O  O7  4  0.1265  0.5000  0.3950  1.0
  O  O8  4  0.2405  0.0000  0.1079  1.0
]