data_[Tl26In6]
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 [Amm2]
_cell_length_a [8.7984]
_cell_length_b [10.5280]
_cell_length_c [10.5461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tl13In3]
_chemical_formula_sum '[Tl26 In6]'
_cell_volume [976.8769]
_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  0.2478  0.2486  0.7477  1
  Tl  Tl1  4  0.0000  0.2277  0.9972  1
  Tl  Tl2  4  0.2178  0.0000  0.5060  1
  Tl  Tl3  4  0.5000  0.2396  0.4978  1
  Tl  Tl4  2  0.0000  0.0000  0.2368  1
  Tl  Tl5  2  0.5000  0.0000  0.2605  1
  Tl  Tl6  2  0.5000  0.0000  0.7398  1
  In  In7  4  0.2772  0.0000  0.9988  1
  In  In8  2  0.0000  0.0000  0.7722  1
]