data_[Sb8I8F80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibca]
_cell_length_a [8.3862]
_cell_length_b [8.4506]
_cell_length_c [21.3465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [73]
_chemical_formula_structural [SbIF10]
_chemical_formula_sum '[Sb8 I8 F80]'
_cell_volume [1512.7904]
_cell_formula_units_Z [8]
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
[
  Sb  Sb0  8  0.0000  0.2500  0.4140  1
  I  I1  8  0.0000  0.2500  0.1495  1
  F  F2  16  0.0436  0.0251  0.9150  1
  F  F3  16  0.1214  0.1320  0.7047  1
  F  F4  16  0.1530  0.0950  0.1725  1
  F  F5  16  0.2271  0.2071  0.4146  1
  F  F6  8  0.0000  0.2500  0.0030  1
  F  F7  8  0.0000  0.2500  0.3251  1
]