data_[Hg96O40F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [14.8717]
_cell_length_b [14.8717]
_cell_length_c [14.8717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Hg12O5F3]
_chemical_formula_sum '[Hg96 O40 F24]'
_cell_volume [3289.1407]
_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  96  0.0157  0.5591  0.3442  1
  O  O1  24  0.0000  0.2500  0.3750  1
  O  O2  16  0.0000  0.0000  0.0000  1
  F  F3  24  0.0000  0.2500  0.1250  1
]