data_[Pr6Cd2Ru2]
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 [P2_1/m]
_cell_length_a [8.4802]
_cell_length_b [4.2690]
_cell_length_c [8.8806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3CdRu]
_chemical_formula_sum '[Pr6 Cd2 Ru2]'
_cell_volume [306.4808]
_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  2  0.0541  0.7500  0.2687  1.0
  Pr  Pr1  2  0.3137  0.7500  0.9343  1.0
  Pr  Pr2  2  0.3253  0.2500  0.5943  1.0
  Cd  Cd3  2  0.3456  0.2500  0.2205  1.0
  Ru  Ru4  2  0.1017  0.7500  0.6171  1.0
]