data_[Hg1H2Au1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8551]
_cell_length_b [5.0173]
_cell_length_c [7.0750]
_cell_angle_alpha [95.3068]
_cell_angle_beta [91.3591]
_cell_angle_gamma [103.8577]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgH2AuF8]
_chemical_formula_sum '[Hg1 H2 Au1 F8]'
_cell_volume [166.4215]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.5000  1.0
  H  H1  2  0.2844  0.5424  0.3413  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1999  0.2042  0.7937  1.0
  F  F4  2  0.2117  0.2569  0.2633  1.0
  F  F5  2  0.2609  0.7563  0.9988  1.0
  F  F6  2  0.3320  0.7088  0.4358  1.0
]