data_[Na6Tl8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [11.2922]
_cell_length_b [5.1919]
_cell_length_c [9.5654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3(Tl2Au)2]
_chemical_formula_sum '[Na6 Tl8 Au4]'
_cell_volume [467.0798]
_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
[
  Na  Na0  4  0.1628  0.5000  0.6656  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0741  0.0000  0.3967  1.0
  Tl  Tl3  4  0.2014  0.5000  0.0489  1.0
  Au  Au4  4  0.1082  0.5000  0.2786  1.0
]