data_[Hg4Pb8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.3518]
_cell_length_b [10.3874]
_cell_length_c [10.9121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [HgPb2F11]
_chemical_formula_sum '[Hg4 Pb8 F44]'
_cell_volume [946.6621]
_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  0.0000  0.5000  0.2500  1
  Pb  Pb1  8  0.1673  0.1980  0.5000  1
  F  F2  16  0.1069  0.3263  0.3605  1
  F  F3  16  0.2315  0.4178  0.1335  1
  F  F4  8  0.1016  0.1876  0.0000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]