data_[Ti4Pb4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5455]
_cell_length_b [7.0093]
_cell_length_c [8.0316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TiPbF5]
_chemical_formula_sum '[Ti4 Pb4 F20]'
_cell_volume [490.3166]
_cell_formula_units_Z [4]
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
[
  Ti  Ti0  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  4  0.0000  0.4613  0.2500  1.0
  F  F2  8  0.0049  0.2876  0.9671  1.0
  F  F3  8  0.2181  0.0083  0.6081  1.0
  F  F4  4  0.0000  0.0685  0.2500  1.0
]