data_[Na4Tl4Au6]
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 [12.9499]
_cell_length_b [4.0794]
_cell_length_c [7.3407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tl2Au3]
_chemical_formula_sum '[Na4 Tl4 Au6]'
_cell_volume [354.9094]
_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  0.1065  0.0000  0.7676  1.0
  Tl  Tl1  4  0.1815  0.0000  0.2520  1.0
  Au  Au2  4  0.0854  0.5000  0.4304  1.0
  Au  Au3  2  0.0000  0.5000  0.0000  1.0
]