data_[Th12Cd4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7964]
_cell_length_b [5.5383]
_cell_length_c [9.2487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3CdRu]
_chemical_formula_sum '[Th12 Cd4 Ru4]'
_cell_volume [564.1011]
_cell_formula_units_Z [4]
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
[
  Th  Th0  4  0.1304  0.5000  0.9297  1
  Th  Th1  4  0.1338  0.0000  0.2646  1
  Th  Th2  4  0.1420  0.0000  0.6454  1
  Cd  Cd3  4  0.0921  0.5000  0.4326  1
  Ru  Ru4  4  0.1059  0.0000  0.9380  1
]