data_[Pr12Ir2Ru4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
  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 [7.1085]
_cell_length_b [12.3249]
_cell_length_c [8.0187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2254]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6IrRu2Cl3]
_chemical_formula_sum '[Pr12 Ir2 Ru4 Cl6]'
_cell_volume [671.0133]
_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  0.2371  0.1688  0.2056  1.0
  Pr  Pr1  4  0.2308  0.5000  0.2060  1.0
  Ru  Ru2  4  0.0000  0.3337  0.0000  1.0
  Ir  Ir3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1702  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]