data_[Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1672]
_cell_length_b [6.2929]
_cell_length_c [6.6317]
_cell_angle_alpha [101.1052]
_cell_angle_beta [93.7418]
_cell_angle_gamma [99.9696]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Hg]
_chemical_formula_sum '[Hg8]'
_cell_volume [247.4400]
_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
[
  Hg  Hg0  1  0.0965  0.5816  0.1005  1.0
  Hg  Hg1  1  0.2668  0.2857  0.4779  1.0
  Hg  Hg2  1  0.3234  0.0492  0.0180  1.0
  Hg  Hg3  1  0.3863  0.8188  0.5570  1.0
  Hg  Hg4  1  0.5700  0.5103  0.9305  1.0
  Hg  Hg5  1  0.7780  0.9902  0.2500  1.0
  Hg  Hg6  1  0.8252  0.5507  0.5117  1.0
  Hg  Hg7  1  0.8762  0.1073  0.7743  1.0
]