data_[Sb2S4Cl6F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7910]
_cell_length_b [6.9596]
_cell_length_c [5.9066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbS2(ClF2)3]
_chemical_formula_sum '[Sb2 S4 Cl6 F12]'
_cell_volume [524.0046]
_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  2  0.0000  0.0000  0.5000  1
  S  S1  4  0.1687  0.5000  0.1458  1
  Cl  Cl2  4  0.2500  0.2500  0.0000  1
  Cl  Cl3  2  0.0000  0.5000  0.0000  1
  F  F4  8  0.0983  0.1961  0.4269  1
  F  F5  4  0.0611  0.0000  0.8062  1
]