data_[Pr12Cd2Ru4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2330]
_cell_length_b [12.6838]
_cell_length_c [8.0706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6CdRu2Cl3]
_chemical_formula_sum '[Pr12 Cd2 Ru4 Cl6]'
_cell_volume [707.5896]
_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  8  0.2494  0.3136  0.7893  1
  Pr  Pr1  4  0.1985  0.5000  0.2155  1
  Cd  Cd2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  4  0.0000  0.3358  0.0000  1
  Cl  Cl4  4  0.0000  0.1751  0.5000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]