data_[Hg4F4]
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 [P-1]
_cell_length_a [5.2892]
_cell_length_b [6.0561]
_cell_length_c [6.4600]
_cell_angle_alpha [103.1146]
_cell_angle_beta [105.0664]
_cell_angle_gamma [115.0972]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgF]
_chemical_formula_sum '[Hg4 F4]'
_cell_volume [166.9595]
_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  2  0.0054  0.8376  0.7318  1.0
  Hg  Hg1  2  0.2592  0.6335  0.2701  1.0
  F  F2  2  0.1945  0.2305  0.7287  1.0
  F  F3  2  0.4455  0.0302  0.2706  1.0
]