data_[Pb2C6S4N2O8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4575]
_cell_length_b [7.7669]
_cell_length_c [10.4011]
_cell_angle_alpha [95.6045]
_cell_angle_beta [105.1441]
_cell_angle_gamma [102.0360]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PbC3S2N(O2F)2]
_chemical_formula_sum '[Pb2 C6 S4 N2 O8 F4]'
_cell_volume [561.3153]
_cell_formula_units_Z [2]
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  2  0.4084  0.7714  0.7011  1
  C  C1  2  0.3341  0.5203  0.7937  1
  C  C2  2  0.3355  0.6990  0.4724  1
  C  C3  2  0.4774  0.0530  0.8099  1
  S  S4  2  0.1120  0.1497  0.3519  1
  S  S5  2  0.1275  0.2683  0.1081  1
  N  N6  2  0.2331  0.2182  0.2528  1
  O  O7  2  0.0349  0.7572  0.6411  1
  O  O8  2  0.0720  0.8183  0.9421  1
  O  O9  2  0.2419  0.1288  0.4745  1
  O  O10  2  0.2558  0.2688  0.0272  1
  F  F11  2  0.0038  0.0472  0.7220  1
  F  F12  2  0.1360  0.4745  0.1521  1
]