data_[Bi4F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8666]
_cell_length_b [9.4078]
_cell_length_c [18.0123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0089]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Bi4F3]
_chemical_formula_sum '[Bi4 F3]'
_cell_volume [655.2170]
_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  0.0174  0.8684  0.4143  1
  Bi  Bi1  1  0.0187  0.8647  0.5815  1
  Bi  Bi2  1  0.0261  0.2084  0.5062  1
  Bi  Bi3  1  0.5178  0.6605  0.4946  1
  F  F4  1  0.0186  0.4370  0.4924  1
  F  F5  1  0.4949  0.2022  0.4309  1
  F  F6  1  0.4953  0.2349  0.5801  1
]