data_[Bi5F6]
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 [Pm]
_cell_length_a [7.8853]
_cell_length_b [15.0000]
_cell_length_c [10.4974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Bi5F6]
_chemical_formula_sum '[Bi5 F6]'
_cell_volume [1162.8308]
_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  0.1431  0.5000  0.3590  1
  Bi  Bi1  1  0.2280  0.5000  0.8730  1
  Bi  Bi2  1  0.3899  0.5000  0.6467  1
  Bi  Bi3  1  0.6811  0.5000  0.5194  1
  Bi  Bi4  1  0.8155  0.5000  0.0819  1
  F  F5  1  0.0706  0.5000  0.0284  1
  F  F6  1  0.4241  0.5000  0.3312  1
  F  F7  1  0.5071  0.5000  0.0423  1
  F  F8  1  0.7033  0.5000  0.8646  1
  F  F9  1  0.8458  0.5000  0.3622  1
  F  F10  1  0.9532  0.5000  0.7008  1
]