data_[Cd2Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1699]
_cell_length_b [2.7703]
_cell_length_c [6.5241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdRu5]
_chemical_formula_sum '[Cd2 Ru10]'
_cell_volume [177.7943]
_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  0.0040  0.0000  0.0042  1
  Ru  Ru1  2  0.0561  0.0000  0.6033  1
  Ru  Ru2  2  0.1732  0.5000  0.3452  1
  Ru  Ru3  2  0.2282  0.5000  0.9317  1
  Ru  Ru4  2  0.3239  0.0000  0.6568  1
  Ru  Ru5  2  0.3813  0.0000  0.2921  1
]