data_[Ca4Pd2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
  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 [9.5127]
_cell_length_b [5.5376]
_cell_length_c [5.6009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2PdRuO6]
_chemical_formula_sum '[Ca4 Pd2 Ru2 O12]'
_cell_volume [242.2495]
_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  4  0.2481  0.0000  0.7276  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0661  0.2525  0.3263  1.0
  O  O4  4  0.2413  0.5000  0.8535  1.0
]