data_[Pr16Cd4Ru4]
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/c]
_cell_length_a [9.0531]
_cell_length_b [13.1374]
_cell_length_c [6.4270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4CdRu]
_chemical_formula_sum '[Pr16 Cd4 Ru4]'
_cell_volume [731.8323]
_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  0.1100  0.1671  0.0437  1
  Pr  Pr1  8  0.2141  0.4145  0.3995  1
  Cd  Cd2  4  0.0000  0.3784  0.7500  1
  Ru  Ru3  4  0.0000  0.0002  0.2500  1
]