data_[Pb4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.4991]
_cell_length_b [5.1228]
_cell_length_c [10.3311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [PbF4]
_chemical_formula_sum '[Pb4 F16]'
_cell_volume [238.1136]
_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  0.1568  0.5043  0.8918  1
  F  F1  4  0.0466  0.6997  0.7120  1
  F  F2  4  0.0525  0.9529  0.1973  1
  F  F3  4  0.1008  0.3389  0.5543  1
  F  F4  4  0.1124  0.8626  0.4577  1
]