data_[H18Pb6F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  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 [6.8409]
_cell_length_b [6.8409]
_cell_length_c [23.5741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [H3PbF6]
_chemical_formula_sum '[H18 Pb6 F36]'
_cell_volume [955.4237]
_cell_formula_units_Z [6]
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
[
  H  H0  18  0.0308  0.6035  0.9246  1
  Pb  Pb1  3  -0.0000  0.0000  0.5000  1
  Pb  Pb2  3  0.0000  0.0000  0.0000  1
  F  F3  18  0.0274  0.4253  0.3807  1
  F  F4  18  0.0491  0.5719  0.1146  1
]