data_[Pr12Os4Ru2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Os  2.2000  1.3000  0.6730
  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 [18.4723]
_cell_length_b [4.3212]
_cell_length_c [8.6552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Os2RuCl3]
_chemical_formula_sum '[Pr12 Os4 Ru2 Cl6]'
_cell_volume [645.2375]
_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  0.0042  0.0000  0.2205  1.0
  Pr  Pr1  4  0.1666  0.5000  0.2536  1.0
  Pr  Pr2  4  0.1795  0.5000  0.8447  1.0
  Os  Os3  4  0.1436  0.0000  0.0377  1.0
  Ru  Ru4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1658  0.0000  0.5425  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]