data_[Ba2Cd2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.6291]
_cell_length_b [10.0488]
_cell_length_c [5.4226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaCdRuO6]
_chemical_formula_sum '[Ba2 Cd2 Ru2 O12]'
_cell_volume [306.4777]
_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  0.0222  0.5000  1.0
  Cd  Cd1  2  0.0000  0.6720  0.0000  1.0
  Ru  Ru2  2  0.0000  0.3446  0.0000  1.0
  O  O3  4  0.1426  0.4735  0.8173  1.0
  O  O4  4  0.1722  0.1991  0.8068  1.0
  O  O5  4  0.2372  0.3080  0.2268  1.0
]