data_[Tl13Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9387]
_cell_length_b [8.0326]
_cell_length_c [8.9841]
_cell_angle_alpha [68.3753]
_cell_angle_beta [86.7540]
_cell_angle_gamma [82.3364]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl13Au2]
_chemical_formula_sum '[Tl13 Au2]'
_cell_volume [461.3206]
_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  0.0501  0.2129  0.3244  1.0
  Tl  Tl1  2  0.1667  0.6456  0.3691  1.0
  Tl  Tl2  2  0.2421  0.5870  0.0193  1.0
  Tl  Tl3  2  0.2930  0.3664  0.7689  1.0
  Tl  Tl4  2  0.4292  0.0798  0.1400  1.0
  Tl  Tl5  2  0.4780  0.7641  0.5669  1.0
  Tl  Tl6  1  0.0000  0.0000  0.0000  1.0
  Au  Au7  2  0.1991  0.0629  0.6668  1.0
]