data_[H9Pb3F18]
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 [R3m]
_cell_length_a [10.9428]
_cell_length_b [10.9428]
_cell_length_c [3.6702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [H3PbF6]
_chemical_formula_sum '[H9 Pb3 F18]'
_cell_volume [380.6099]
_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
[
  H  H0  9  0.0270  0.5135  0.4809  1.0
  Pb  Pb1  3  0.0000  0.0000  0.2225  1.0
  F  F2  9  0.0800  0.1601  0.7297  1.0
  F  F3  9  0.2003  0.4006  0.9356  1.0
]