data_[Ca2Ni2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [5.0192]
_cell_length_b [9.0510]
_cell_length_c [5.0042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaNiRuO6]
_chemical_formula_sum '[Ca2 Ni2 Ru2 O12]'
_cell_volume [227.1997]
_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
[
  Ca  Ca0  2  0.0000  0.0087  0.0000  1.0
  Ni  Ni1  2  0.0000  0.6679  0.5000  1.0
  Ru  Ru2  2  0.0000  0.3418  0.5000  1.0
  O  O3  4  0.1327  0.4936  0.2897  1.0
  O  O4  4  0.1838  0.1854  0.2932  1.0
  O  O5  4  0.1995  0.8118  0.2803  1.0
]