data_[Tl2Sn2S2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [Cm]
_cell_length_a [7.5805]
_cell_length_b [4.0075]
_cell_length_c [7.7596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlSnSF]
_chemical_formula_sum '[Tl2 Sn2 S2 F2]'
_cell_volume [209.6227]
_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
[
  Tl  Tl0  2  0.2992  0.0000  0.6295  1.0
  Sn  Sn1  2  0.2422  0.0000  0.1370  1.0
  S  S2  2  0.2409  0.5000  0.9031  1.0
  F  F3  2  0.0632  0.5000  0.3000  1.0
]