data_[Hg8O4F12]
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 [C2/m]
_cell_length_a [16.4442]
_cell_length_b [3.7362]
_cell_length_c [6.3577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2OF3]
_chemical_formula_sum '[Hg8 O4 F12]'
_cell_volume [384.2354]
_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  4  0.0660  0.0000  0.2747  1
  Hg  Hg1  4  0.2155  0.0000  0.7366  1
  O  O2  4  0.0415  0.5000  0.0566  1
  F  F3  4  0.0768  0.0000  0.6467  1
  F  F4  4  0.1759  0.5000  0.4554  1
  F  F5  4  0.2031  0.0000  0.1067  1
]