data_[Pr12Cd2Ru4]
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 [C2/m]
_cell_length_a [10.5240]
_cell_length_b [5.3061]
_cell_length_c [9.3745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6CdRu2]
_chemical_formula_sum '[Pr12 Cd2 Ru4]'
_cell_volume [512.4468]
_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  4  0.0366  0.0000  0.8475  1.0
  Pr  Pr1  4  0.1628  0.5000  0.3835  1.0
  Pr  Pr2  4  0.2070  0.5000  0.8362  1.0
  Cd  Cd3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.1142  0.5000  0.0969  1.0
]