data_[Tl1Sn2F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2407]
_cell_length_b [6.7651]
_cell_length_c [7.9245]
_cell_angle_alpha [67.2279]
_cell_angle_beta [89.0194]
_cell_angle_gamma [73.5785]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlSn2F8]
_chemical_formula_sum '[Tl1 Sn2 F8]'
_cell_volume [199.9766]
_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
[
  Tl  Tl0  1  0.0000  0.0000  0.0000  1
  Sn  Sn1  2  0.3780  0.2683  0.3172  1
  F  F2  2  0.1111  0.7573  0.6744  1
  F  F3  2  0.2276  0.5840  0.2927  1
  F  F4  2  0.3685  0.2888  0.0575  1
  F  F5  2  0.4494  0.0957  0.6099  1
]