data_[Cd2Mo2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6056]
_cell_length_b [2.8227]
_cell_length_c [4.7921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdMoRu2]
_chemical_formula_sum '[Cd2 Mo2 Ru4]'
_cell_volume [126.8695]
_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  0.0078  0.5000  0.5230  1
  Mo  Mo1  2  0.2375  0.5000  0.2085  1
  Ru  Ru2  2  0.2670  0.0000  0.7506  1
  Ru  Ru3  2  0.4877  0.5000  0.0180  1
]