data_[Bi2Pb2S4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  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 [P4/nmm]
_cell_length_a [4.0570]
_cell_length_b [4.0570]
_cell_length_c [14.2798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [BiPbS2F]
_chemical_formula_sum '[Bi2 Pb2 S4 F2]'
_cell_volume [235.0379]
_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
[
  Bi  Bi0  2  0.0000  0.5000  0.8705  1.0
  Pb  Pb1  2  0.0000  0.5000  0.3896  1.0
  S  S2  2  0.0000  0.5000  0.1056  1.0
  S  S3  2  0.0000  0.5000  0.6932  1.0
  F  F4  2  0.0000  0.0000  0.5000  1.0
]