data_[Pb8O4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [8.1557]
_cell_length_b [8.1557]
_cell_length_c [5.6594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pb2OF2]
_chemical_formula_sum '[Pb8 O4 F8]'
_cell_volume [376.4366]
_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  0.2648  0.8033  1
  Pb  Pb1  4  0.2385  0.5000  0.3058  1
  O  O2  2  0.0000  0.5000  0.5286  1
  O  O3  1  0.0000  0.0000  0.0000  1
  O  O4  1  0.5000  0.5000  0.5000  1
  F  F5  4  0.1984  0.1984  0.5000  1
  F  F6  4  0.2847  0.2847  0.0000  1
]