data_[Pb8S4F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0007]
_cell_length_b [14.1599]
_cell_length_c [7.6831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pb2SF2]
_chemical_formula_sum '[Pb8 S4 F8]'
_cell_volume [435.2427]
_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  0.0343  0.3154  1.0
  Pb  Pb1  4  0.0000  0.2869  0.2145  1.0
  S  S2  4  0.0000  0.4283  0.4682  1.0
  F  F3  4  0.0000  0.1125  0.6181  1.0
  F  F4  4  0.0000  0.2859  0.8691  1.0
]