data_[Tl8In8]
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 [P2_12_12_1]
_cell_length_a [7.3683]
_cell_length_b [7.6898]
_cell_length_c [8.9396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [TlIn]
_chemical_formula_sum '[Tl8 In8]'
_cell_volume [506.5301]
_cell_formula_units_Z [8]
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  4  0.1208  0.2646  0.9527  1.0
  Tl  Tl1  4  0.1778  0.6989  0.8311  1.0
  In  In2  4  0.0546  0.5813  0.1908  1.0
  In  In3  4  0.2266  0.0735  0.6212  1.0
]