data_[Nd4Ni2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  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 [5.4434]
_cell_length_b [5.8091]
_cell_length_c [9.4869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2NiRuO6]
_chemical_formula_sum '[Nd4 Ni2 Ru2 O12]'
_cell_volume [246.8728]
_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  4  0.2300  0.5687  0.2504  1.0
  Ni  Ni1  2  0.5000  0.0000  0.5000  1.0
  Ru  Ru2  2  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.1377  0.7037  0.9473  1.0
  O  O4  4  0.2523  0.1962  0.9507  1.0
  O  O5  4  0.3466  0.5299  0.7464  1.0
]