data_[Hg4Pb4F16]
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 [I4_1md]
_cell_length_a [7.7767]
_cell_length_b [7.7767]
_cell_length_c [7.6533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [HgPbF4]
_chemical_formula_sum '[Hg4 Pb4 F16]'
_cell_volume [462.8492]
_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  0.0000  0.4984  1.0
  Pb  Pb1  4  0.0000  0.0000  0.9988  1.0
  F  F2  8  0.0000  0.3079  0.5114  1.0
  F  F3  8  0.0000  0.3141  0.9900  1.0
]