data_[Tl1In2Si1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4801]
_cell_length_b [5.6714]
_cell_length_c [6.9458]
_cell_angle_alpha [98.5208]
_cell_angle_beta [96.3830]
_cell_angle_gamma [91.6922]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlIn2SiF8]
_chemical_formula_sum '[Tl1 In2 Si1 F8]'
_cell_volume [211.9337]
_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  0.5000  1.0
  In  In1  2  0.4947  0.5259  0.7735  1.0
  Si  Si2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0172  0.7570  0.1153  1.0
  F  F4  2  0.2142  0.1570  0.1861  1.0
  F  F5  2  0.2358  0.9030  0.8705  1.0
  F  F6  2  0.3180  0.6291  0.4928  1.0
]