data_[Hg6O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5943]
_cell_length_b [6.5819]
_cell_length_c [21.7592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.3261]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Hg3O]
_chemical_formula_sum '[Hg6 O2]'
_cell_volume [514.7516]
_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
[
  Hg  Hg0  1  0.3572  0.2530  0.6546  1
  Hg  Hg1  1  0.4021  0.4301  0.3459  1
  Hg  Hg2  1  0.6684  0.2094  0.4995  1
  Hg  Hg3  1  0.6707  0.7094  0.4997  1
  Hg  Hg4  1  0.8629  0.7530  0.6563  1
  Hg  Hg5  1  0.9608  0.9303  0.3457  1
  O  O6  1  0.0062  0.4598  0.5000  1
  O  O7  1  0.3329  0.9580  0.4985  1
]