data_[Sb2S2F2]
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 [P-1]
_cell_length_a [4.0710]
_cell_length_b [5.6597]
_cell_length_c [7.1257]
_cell_angle_alpha [68.4738]
_cell_angle_beta [88.5919]
_cell_angle_gamma [86.8575]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SbSF]
_chemical_formula_sum '[Sb2 S2 F2]'
_cell_volume [152.4980]
_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  0.3191  0.2723  0.2996  1.0
  S  S1  2  0.2983  0.7958  0.4113  1.0
  F  F2  2  0.2941  0.7299  0.8854  1.0
]