data_[Tl8S2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.3946]
_cell_length_b [12.1381]
_cell_length_c [6.1612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl4SF3]
_chemical_formula_sum '[Tl8 S2 F6]'
_cell_volume [403.4370]
_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  4  0.0000  0.2616  0.7425  1.0
  Tl  Tl1  2  0.0000  0.0000  0.2345  1.0
  Tl  Tl2  2  0.0000  0.5000  0.2464  1.0
  S  S3  2  0.0000  0.0000  0.7325  1.0
  F  F4  4  0.0000  0.2753  0.3324  1.0
  F  F5  2  0.0000  0.5000  0.8408  1.0
]