data_[Ti1Tl1In2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5231]
_cell_length_b [5.7164]
_cell_length_c [7.0206]
_cell_angle_alpha [93.6217]
_cell_angle_beta [94.3242]
_cell_angle_gamma [93.2907]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiTlIn2F8]
_chemical_formula_sum '[Ti1 Tl1 In2 F8]'
_cell_volume [220.1557]
_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
[
  Ti  Ti0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.4780  0.5158  0.2309  1.0
  F  F3  2  0.1405  0.7635  0.1407  1.0
  F  F4  2  0.1446  0.2373  0.1892  1.0
  F  F5  2  0.2739  0.0318  0.8598  1.0
  F  F6  2  0.3758  0.6794  0.5085  1.0
]