data_[Hg18Pb3F36]
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 [R-3]
_cell_length_a [10.9056]
_cell_length_b [10.9056]
_cell_length_c [9.8540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Hg6PbF12]
_chemical_formula_sum '[Hg18 Pb3 F36]'
_cell_volume [1014.9435]
_cell_formula_units_Z [3]
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  18  0.0359  0.2510  0.6437  1.0
  Pb  Pb1  3  0.0000  0.0000  0.0000  1.0
  F  F2  18  0.0259  0.2137  0.3905  1.0
  F  F3  18  0.0274  0.2116  0.8823  1.0
]