data_[Sn4S2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  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 [6.0874]
_cell_length_b [5.5989]
_cell_length_c [6.4937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn2SF2]
_chemical_formula_sum '[Sn4 S2 F4]'
_cell_volume [207.6015]
_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
[
  Sn  Sn0  4  0.2331  0.5000  0.2467  1
  S  S1  2  0.0000  0.0000  0.0000  1
  F  F2  4  0.0000  0.2327  0.5000  1
]