data_[Pr12Si4Ru2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  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 [18.8019]
_cell_length_b [4.1873]
_cell_length_c [8.8340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Si2RuCl3]
_chemical_formula_sum '[Pr12 Si4 Ru2 Cl6]'
_cell_volume [673.0828]
_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  0.0046  0.0000  0.2268  1
  Pr  Pr1  4  0.1516  0.5000  0.0996  1
  Pr  Pr2  4  0.1734  0.5000  0.5732  1
  Si  Si3  4  0.1651  0.0000  0.3397  1
  Ru  Ru4  2  0.0000  0.5000  0.0000  1
  Cl  Cl5  4  0.1733  0.0000  0.8377  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]