data_[Sr2Ni2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [5.0656]
_cell_length_b [9.1330]
_cell_length_c [5.3397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SrNiRuO6]
_chemical_formula_sum '[Sr2 Ni2 Ru2 O12]'
_cell_volume [246.8771]
_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
[
  Sr  Sr0  2  0.0000  0.0081  0.0000  1.0
  Ni  Ni1  2  0.0000  0.6688  0.5000  1.0
  Ru  Ru2  2  0.0000  0.3419  0.5000  1.0
  O  O3  4  0.1202  0.4930  0.2989  1.0
  O  O4  4  0.1877  0.1901  0.3050  1.0
  O  O5  4  0.2032  0.8079  0.2929  1.0
]