data_[Sb8S4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5607]
_cell_length_b [4.1349]
_cell_length_c [8.6530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb2SF3]
_chemical_formula_sum '[Sb8 S4 F12]'
_cell_volume [518.4348]
_cell_formula_units_Z [4]
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  4  0.0923  0.0000  0.9368  1.0
  Sb  Sb1  4  0.1428  0.5000  0.3681  1.0
  S  S2  4  0.0486  0.5000  0.7598  1.0
  F  F3  4  0.1373  0.0000  0.3033  1.0
  F  F4  4  0.1549  0.5000  0.1379  1.0
  F  F5  4  0.2183  0.0000  0.6161  1.0
]