data_[Tl10In2F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.9110]
_cell_length_b [7.9110]
_cell_length_c [8.5973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Tl5InF8]
_chemical_formula_sum '[Tl10 In2 F16]'
_cell_volume [538.0542]
_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  8  0.1203  0.2648  0.8805  1
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  In  In2  2  0.0000  0.5000  0.2500  1
  F  F3  8  0.0585  0.3383  0.4738  1
  F  F4  8  0.0763  0.2465  0.1772  1
]