data_[Sn3Hg18F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.7995]
_cell_length_b [10.7995]
_cell_length_c [10.2883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [SnHg6F12]
_chemical_formula_sum '[Sn3 Hg18 F36]'
_cell_volume [1039.1547]
_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
[
  Sn  Sn0  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  18  0.0222  0.7747  0.3525  1.0
  F  F2  18  0.0180  0.1616  0.8872  1.0
  F  F3  18  0.0559  0.8167  0.5931  1.0
]