data_[Hg4H4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.8124]
_cell_length_b [14.6460]
_cell_length_c [3.8090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [HgHF3]
_chemical_formula_sum '[Hg4 H4 F12]'
_cell_volume [268.4675]
_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  0.2500  0.3432  0.7032  1.0
  H  H1  4  0.2500  0.0288  0.7985  1.0
  F  F2  4  0.2500  0.0787  0.9722  1.0
  F  F3  4  0.2500  0.2472  0.2952  1.0
  F  F4  4  0.2500  0.4391  0.1101  1.0
]