data_[Ba2Ni2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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]
_cell_length_a [5.1360]
_cell_length_b [9.1920]
_cell_length_c [5.6673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaNiRuO6]
_chemical_formula_sum '[Ba2 Ni2 Ru2 O12]'
_cell_volume [267.4259]
_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  2  0.0000  0.9916  0.5000  1
  Ni  Ni1  2  0.0000  0.3295  0.0000  1
  Ru  Ru2  2  0.0000  0.6592  0.0000  1
  O  O3  4  0.1031  0.5080  0.8050  1
  O  O4  4  0.1938  0.8041  0.8161  1
  O  O5  4  0.2079  0.1961  0.8029  1
]