data_[Ho12Cd4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [6.4509]
_cell_length_b [16.1501]
_cell_length_c [5.5482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3CdRu]
_chemical_formula_sum '[Ho12 Cd4 Ru4]'
_cell_volume [508.9955]
_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
[
  Ho  Ho0  8  0.1953  0.8861  0.8644  1.0
  Ho  Ho1  4  0.0000  0.3017  0.5000  1.0
  Cd  Cd2  4  0.2378  0.5000  0.5843  1.0
  Ru  Ru3  4  0.0000  0.2506  0.0000  1.0
]