data_[Pr12Hg2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3983]
_cell_length_b [5.3135]
_cell_length_c [9.3120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6HgRu2]
_chemical_formula_sum '[Pr12 Hg2 Ru4]'
_cell_volume [505.0174]
_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  0.0385  0.0000  0.8452  1.0
  Pr  Pr1  4  0.1604  0.5000  0.3864  1.0
  Pr  Pr2  4  0.2076  0.5000  0.8374  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.1133  0.5000  0.0983  1.0
]