data_[Sb2Cl2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4892]
_cell_length_b [5.7289]
_cell_length_c [10.5997]
_cell_angle_alpha [90.2836]
_cell_angle_beta [91.9743]
_cell_angle_gamma [92.9176]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SbClF8]
_chemical_formula_sum '[Sb2 Cl2 F16]'
_cell_volume [332.6916]
_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
[
  Sb  Sb0  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl2  2  0.3866  0.3705  0.2443  1.0
  F  F3  2  0.1011  0.1953  0.3557  1.0
  F  F4  2  0.1330  0.7343  0.4255  1.0
  F  F5  2  0.1537  0.8229  0.1284  1.0
  F  F6  2  0.1570  0.2919  0.0717  1.0
  F  F7  2  0.2707  0.9659  0.8954  1.0
  F  F8  2  0.3018  0.0723  0.5883  1.0
  F  F9  2  0.4246  0.4959  0.8479  1.0
  F  F10  2  0.4536  0.5739  0.6273  1.0
]