data_[Hg4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6554]
_cell_length_b [2.8578]
_cell_length_c [6.5898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgRu2]
_chemical_formula_sum '[Hg4 Ru8]'
_cell_volume [194.6855]
_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
[
  Hg  Hg0  2  0.1694  0.5000  0.3445  1
  Hg  Hg1  2  0.4982  0.5000  0.0067  1
  Ru  Ru2  2  0.0459  0.0000  0.6210  1
  Ru  Ru3  2  0.2261  0.5000  0.9048  1
  Ru  Ru4  2  0.3410  0.0000  0.6643  1
  Ru  Ru5  2  0.3861  0.0000  0.2921  1
]