data_[Li4Nd2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2_1/c]
_cell_length_a [5.4057]
_cell_length_b [5.5237]
_cell_length_c [9.5369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2NdIrO6]
_chemical_formula_sum '[Li4 Nd2 Ir2 O12]'
_cell_volume [237.3645]
_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
[
  Li  Li0  4  0.2902  0.0217  0.2614  1.0
  Nd  Nd1  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0283  0.1926  0.9158  1.0
  O  O4  4  0.2553  0.6311  0.9401  1.0
  O  O5  4  0.3430  0.0972  0.7206  1.0
]