data_[Cd2Cu4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9544]
_cell_length_b [2.6849]
_cell_length_c [4.7197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdCu2Ru]
_chemical_formula_sum '[Cd2 Cu4 Ru2]'
_cell_volume [115.7272]
_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
[
  Cd  Cd0  2  0.2583  0.0000  0.8115  1
  Cu  Cu1  2  0.0144  0.0000  0.9533  1
  Cu  Cu2  2  0.2396  0.5000  0.3044  1
  Ru  Ru3  2  0.4878  0.0000  0.4308  1
]