data_[Tl8Au6]
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 [C2/m]
_cell_length_a [13.4903]
_cell_length_b [4.6328]
_cell_length_c [6.5644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl4Au3]
_chemical_formula_sum '[Tl8 Au6]'
_cell_volume [375.3053]
_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  4  0.0583  0.5000  0.3177  1.0
  Tl  Tl1  4  0.1678  0.0000  0.7927  1.0
  Au  Au2  4  0.2179  0.0000  0.3234  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
]