data_[Na32Tl24Au2]
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 [Cm]
_cell_length_a [11.9856]
_cell_length_b [16.6472]
_cell_length_c [10.3221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na16Tl12Au]
_chemical_formula_sum '[Na32 Tl24 Au2]'
_cell_volume [1701.1980]
_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  0.0816  0.3537  0.4278  1
  Na  Na1  4  0.1555  0.1559  0.5845  1
  Na  Na2  4  0.1785  0.1731  0.9990  1
  Na  Na3  4  0.3011  0.2929  0.3172  1
  Na  Na4  4  0.4491  0.1196  0.9747  1
  Na  Na5  4  0.4867  0.1967  0.6983  1
  Na  Na6  2  0.0106  0.0000  0.3413  1
  Na  Na7  2  0.1007  0.5000  0.6811  1
  Na  Na8  2  0.2046  0.5000  0.2901  1
  Na  Na9  2  0.4870  0.5000  0.9814  1
  Tl  Tl10  4  0.0067  0.2040  0.1921  1
  Tl  Tl11  4  0.2354  0.4030  0.0222  1
  Tl  Tl12  4  0.2848  0.0991  0.3733  1
  Tl  Tl13  4  0.3158  0.3071  0.8166  1
  Tl  Tl14  4  0.4094  0.4019  0.6241  1
  Tl  Tl15  2  0.1864  0.0000  0.8143  1
  Tl  Tl16  2  0.3880  0.0000  0.1949  1
  Au  Au17  2  0.3132  0.0000  0.6372  1
]