data_[Tl13In2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9783]
_cell_length_b [8.2582]
_cell_length_c [8.6488]
_cell_angle_alpha [69.8633]
_cell_angle_beta [78.5183]
_cell_angle_gamma [81.6597]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl13In2]
_chemical_formula_sum '[Tl13 In2]'
_cell_volume [457.0002]
_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  2  0.1405  0.4679  0.7790  1.0
  Tl  Tl1  2  0.1958  0.2112  0.1904  1.0
  Tl  Tl2  2  0.2692  0.9324  0.5926  1.0
  Tl  Tl3  2  0.3248  0.6669  0.9942  1.0
  Tl  Tl4  2  0.3798  0.4091  0.4009  1.0
  Tl  Tl5  2  0.4760  0.1321  0.7979  1.0
  Tl  Tl6  1  0.0000  0.0000  0.0000  1.0
  In  In7  2  0.0629  0.7472  0.3939  1.0
]