data_[Hg3Pb1O2F6]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.0083]
_cell_length_b [7.0083]
_cell_length_c [5.5299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Hg3Pb(OF3)2]
_chemical_formula_sum '[Hg3 Pb1 O2 F6]'
_cell_volume [235.2231]
_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  3  0.0000  0.5000  0.0000  1.0
  Pb  Pb1  1  0.0000  0.0000  0.5000  1.0
  O  O2  2  0.3333  0.6667  0.8926  1.0
  F  F3  6  0.1420  0.2841  0.2763  1.0
]