data_[Pr24Cd4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7317]
_cell_length_b [10.0229]
_cell_length_c [10.7652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr6CdRu2]
_chemical_formula_sum '[Pr24 Cd4 Ru8]'
_cell_volume [1050.0365]
_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
[
  Pr  Pr0  8  0.0000  0.2021  0.2362  1
  Pr  Pr1  8  0.1865  0.5000  0.1736  1
  Pr  Pr2  8  0.2149  0.3175  0.5000  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
  Cd  Cd4  2  0.0000  0.0000  0.5000  1
  Ru  Ru5  4  0.0000  0.3241  0.0000  1
  Ru  Ru6  4  0.0000  0.5000  0.3763  1
]