data_[Pb8S4O16F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5125]
_cell_length_b [4.4848]
_cell_length_c [8.7419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pb2S(O2F)2]
_chemical_formula_sum '[Pb8 S4 O16 F8]'
_cell_volume [540.9265]
_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  8  0.1543  0.4903  0.0750  1.0
  S  S1  4  0.0000  0.0489  0.2500  1.0
  O  O2  8  0.0030  0.2455  0.3906  1.0
  O  O3  8  0.0894  0.1346  0.7912  1.0
  F  F4  8  0.2470  0.0267  0.6222  1.0
]