data_[Ce32Hg8Ru16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [11.5286]
_cell_length_b [13.3491]
_cell_length_c [8.7727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ce4HgRu2]
_chemical_formula_sum '[Ce32 Hg8 Ru16]'
_cell_volume [1350.0906]
_cell_formula_units_Z [8]
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
[
  Ce  Ce0  16  0.0640  0.4078  0.1732  1.0
  Ce  Ce1  16  0.1215  0.2901  0.5882  1.0
  Hg  Hg2  8  0.0000  0.0000  0.0166  1.0
  Ru  Ru3  16  0.0286  0.2890  0.8553  1.0
]