data_[Hg1H1Pb1F6]
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
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4857]
_cell_length_b [5.1456]
_cell_length_c [6.3003]
_cell_angle_alpha [83.4857]
_cell_angle_beta [80.8358]
_cell_angle_gamma [70.0885]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgHPbF6]
_chemical_formula_sum '[Hg1 H1 Pb1 F6]'
_cell_volume [134.7071]
_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  0.5938  0.5988  0.4111  1
  H  H1  1  0.2365  0.1870  0.5124  1
  Pb  Pb2  1  0.0228  0.9984  0.9564  1
  F  F3  1  0.0803  0.7529  0.2780  1
  F  F4  1  0.2805  0.6668  0.7243  1
  F  F5  1  0.4624  0.1191  0.4243  1
  F  F6  1  0.5242  0.9999  0.9582  1
  F  F7  1  0.8379  0.4079  0.1047  1
  F  F8  1  0.9613  0.2695  0.6305  1
]