data_[Pb4W4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  W  2.3600  1.3500  0.7667
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8193]
_cell_length_b [7.2229]
_cell_length_c [8.2715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PbWF5]
_chemical_formula_sum '[Pb4 W4 F20]'
_cell_volume [534.7541]
_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  0.4705  0.7500  1
  W  W1  4  0.0000  0.0000  0.0000  1
  F  F2  8  0.0019  0.2922  0.0366  1
  F  F3  8  0.2338  0.0023  0.6148  1
  F  F4  4  0.0000  0.0783  0.7500  1
]