data_[Sn4Pb4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [14.0403]
_cell_length_b [4.2994]
_cell_length_c [7.2336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SnPbF4]
_chemical_formula_sum '[Sn4 Pb4 F16]'
_cell_volume [429.1829]
_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
[
  Sn  Sn0  4  0.0000  0.2955  0.2500  1.0
  Pb  Pb1  4  0.2500  0.2500  0.0000  1.0
  F  F2  8  0.0622  0.2994  0.9344  1.0
  F  F3  8  0.1862  0.2452  0.3115  1.0
]