data_[Bi1Pb1F5]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0611]
_cell_length_b [4.3967]
_cell_length_c [7.2589]
_cell_angle_alpha [93.3731]
_cell_angle_beta [106.1322]
_cell_angle_gamma [115.9703]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BiPbF5]
_chemical_formula_sum '[Bi1 Pb1 F5]'
_cell_volume [109.4608]
_cell_formula_units_Z [1]
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  1  0.8908  0.8784  0.9721  1.0
  Pb  Pb1  1  0.0029  0.5688  0.4437  1.0
  F  F2  1  0.2585  0.6085  0.8053  1.0
  F  F3  1  0.2984  0.1533  0.3493  1.0
  F  F4  1  0.5575  0.7432  0.1807  1.0
  F  F5  1  0.7060  0.3011  0.9901  1.0
  F  F6  1  0.7820  0.8717  0.6338  1.0
]