data_[Li2Nd4Ru2O12]
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
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4559]
_cell_length_b [5.8344]
_cell_length_c [9.4514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiNd2RuO6]
_chemical_formula_sum '[Li2 Nd4 Ru2 O12]'
_cell_volume [247.1539]
_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  2  0.5000  0.0000  0.5000  1.0
  Nd  Nd1  4  0.2683  0.0726  0.7513  1.0
  Ru  Ru2  2  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.1454  0.0315  0.2440  1.0
  O  O4  4  0.2336  0.7122  0.0534  1.0
  O  O5  4  0.3436  0.1849  0.0478  1.0
]