data_[La4Ni2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [C2/m]
_cell_length_a [9.7656]
_cell_length_b [5.5688]
_cell_length_c [5.6816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2NiRuO6]
_chemical_formula_sum '[La4 Ni2 Ru2 O12]'
_cell_volume [252.2750]
_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
[
  La  La0  4  0.2497  0.5000  0.2614  1.0
  Ni  Ni1  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0544  0.2512  0.3084  1.0
  O  O4  4  0.2460  0.5000  0.8411  1.0
]