data_[Pr12Ru2Pt4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3977]
_cell_length_b [12.8470]
_cell_length_c [8.5575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6RuPt2I3]
_chemical_formula_sum '[Pr12 Ru2 Pt4 I6]'
_cell_volume [778.4081]
_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  0.2230  0.1609  0.1866  1.0
  Pr  Pr1  4  0.2408  0.5000  0.1868  1.0
  Ru  Ru2  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt3  4  0.0000  0.3333  0.0000  1.0
  I  I4  4  0.0000  0.1658  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]