data_[Tl2Sn8Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7400]
_cell_length_b [6.7664]
_cell_length_c [8.1569]
_cell_angle_alpha [109.8062]
_cell_angle_beta [101.9957]
_cell_angle_gamma [92.9512]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlSn4Au]
_chemical_formula_sum '[Tl2 Sn8 Au2]'
_cell_volume [339.3375]
_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  2  0.2528  0.0037  0.9994  1.0
  Sn  Sn1  2  0.0841  0.3967  0.8207  1.0
  Sn  Sn2  2  0.1025  0.0857  0.3835  1.0
  Sn  Sn3  2  0.4061  0.6795  0.6274  1.0
  Sn  Sn4  2  0.4302  0.6245  0.1863  1.0
  Au  Au5  1  0.0000  0.5000  0.5000  1.0
  Au  Au6  1  0.5000  0.0000  0.5000  1.0
]