data_[Pr8Cd2Ru4]
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 [P1]
_cell_length_a [7.4768]
_cell_length_b [7.5095]
_cell_length_c [7.6336]
_cell_angle_alpha [72.2418]
_cell_angle_beta [85.5104]
_cell_angle_gamma [72.4197]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pr4CdRu2]
_chemical_formula_sum '[Pr8 Cd2 Ru4]'
_cell_volume [389.0676]
_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
[
  Pr  Pr0  1  0.0239  0.5809  0.2499  1.0
  Pr  Pr1  1  0.3212  0.7458  0.5052  1.0
  Pr  Pr2  1  0.3451  0.2153  0.6601  1.0
  Pr  Pr3  1  0.4038  0.1711  0.1696  1.0
  Pr  Pr4  1  0.5335  0.6770  0.0176  1.0
  Pr  Pr5  1  0.7712  0.9080  0.5778  1.0
  Pr  Pr6  1  0.7845  0.3599  0.6472  1.0
  Pr  Pr7  1  0.8906  0.1547  0.1481  1.0
  Cd  Cd8  1  0.0529  0.5197  0.8499  1.0
  Cd  Cd9  1  0.0954  0.9129  0.8531  1.0
  Ru  Ru10  1  0.0834  0.1361  0.4601  1.0
  Ru  Ru11  1  0.5751  0.3737  0.3572  1.0
  Ru  Ru12  1  0.6596  0.7626  0.3137  1.0
  Ru  Ru13  1  0.7100  0.9822  0.9406  1.0
]