data_[Al1Tl1In2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [5.9032]
_cell_length_b [5.9386]
_cell_length_c [6.0976]
_cell_angle_alpha [70.0907]
_cell_angle_beta [69.9676]
_cell_angle_gamma [68.8225]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlTlIn2F6]
_chemical_formula_sum '[Al1 Tl1 In2 F6]'
_cell_volume [181.4414]
_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
[
  Al  Al0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.5000  0.5000  0.5000  1.0
  In  In2  2  0.2426  0.2399  0.2340  1.0
  F  F3  2  0.1117  0.8580  0.2775  1.0
  F  F4  2  0.1564  0.7106  0.8949  1.0
  F  F5  2  0.2851  0.1119  0.8591  1.0
]