data_[Bi1S2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  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 [3.8756]
_cell_length_b [4.1775]
_cell_length_c [8.1193]
_cell_angle_alpha [86.8078]
_cell_angle_beta [86.6509]
_cell_angle_gamma [89.9004]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Bi(SF2)2]
_chemical_formula_sum '[Bi1 S2 F4]'
_cell_volume [131.0258]
_cell_formula_units_Z [1]
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
[
  Bi  Bi0  1  0.0000  0.0000  0.0000  1
  S  S1  2  0.1575  0.4360  0.4181  1
  F  F2  2  0.0089  0.5158  0.8425  1
  F  F3  2  0.4823  0.9864  0.1660  1
]