data_[Hg6F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2926]
_cell_length_b [3.5910]
_cell_length_c [5.2464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg3F4]
_chemical_formula_sum '[Hg6 F8]'
_cell_volume [260.3972]
_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  4  0.2093  0.5000  0.6450  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  F  F2  4  0.0528  0.5000  0.2743  1.0
  F  F3  4  0.1572  0.0000  0.8832  1.0
]