data_[Tl8Sn4Au8]
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 [C2/m]
_cell_length_a [12.7942]
_cell_length_b [4.4980]
_cell_length_c [11.0327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2SnAu2]
_chemical_formula_sum '[Tl8 Sn4 Au8]'
_cell_volume [524.4366]
_cell_formula_units_Z [4]
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  0.1030  0.0000  0.9047  1.0
  Tl  Tl1  4  0.1551  0.5000  0.6935  1.0
  Sn  Sn2  4  0.1516  0.5000  0.3605  1.0
  Au  Au3  4  0.0774  0.0000  0.4453  1.0
  Au  Au4  4  0.1371  0.5000  0.0992  1.0
]