data_[Ce20Hg8Ru8]
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 [Cmce]
_cell_length_a [15.9682]
_cell_length_b [7.5298]
_cell_length_c [7.7899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce5(HgRu)2]
_chemical_formula_sum '[Ce20 Hg8 Ru8]'
_cell_volume [936.6377]
_cell_formula_units_Z [4]
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  0.1171  0.1733  0.3266  1
  Ce  Ce1  4  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.2193  0.0000  0.0000  1
  Ru  Ru3  8  0.0000  0.1411  0.6359  1
]