data_[Ba4Cd2Ru2O12]
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/m]
_cell_length_a [10.3021]
_cell_length_b [5.9358]
_cell_length_c [6.0020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2CdRuO6]
_chemical_formula_sum '[Ba4 Cd2 Ru2 O12]'
_cell_volume [299.3332]
_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  4  0.2495  0.0000  0.7478  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0241  0.2681  0.2962  1.0
  O  O4  4  0.2295  0.5000  0.7751  1.0
]