data_[Pb4Cl8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4959]
_cell_length_b [8.7421]
_cell_length_c [7.5497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pb(ClF3)2]
_chemical_formula_sum '[Pb4 Cl8 F24]'
_cell_volume [700.8640]
_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
[
  Pb  Pb0  4  0.0000  0.1552  0.7500  1
  Cl  Cl1  8  0.2055  0.3679  0.6583  1
  F  F2  8  0.0583  0.2792  0.4860  1
  F  F3  8  0.1402  0.0423  0.1509  1
  F  F4  8  0.1456  0.3526  0.8921  1
]