data_[Pr16Hg2Ru4]
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 [8.8011]
_cell_length_b [13.8029]
_cell_length_c [5.8016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8HgRu2]
_chemical_formula_sum '[Pr16 Hg2 Ru4]'
_cell_volume [679.1231]
_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  0.2067  0.1264  0.0608  1.0
  Pr  Pr1  4  0.0000  0.2437  0.5000  1.0
  Pr  Pr2  4  0.1067  0.5000  0.3034  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.0000  0.2939  0.0000  1.0
]