data_[Li6Pb3F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3987]
_cell_length_b [5.3987]
_cell_length_c [14.1762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2PbF6]
_chemical_formula_sum '[Li6 Pb3 F18]'
_cell_volume [357.8241]
_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
[
  Li  Li0  3  0.0000  0.0000  0.5192  1
  Li  Li1  3  0.0000  0.0000  0.7178  1
  Pb  Pb2  3  0.0000  0.0000  0.2069  1
  F  F3  9  0.0077  0.3362  0.7905  1
  F  F4  9  0.0640  0.7043  0.2834  1
]