data_[Na12Tl12Au8]
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 [Cmcm]
_cell_length_a [4.6637]
_cell_length_b [11.3980]
_cell_length_c [16.8207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3Tl3Au2]
_chemical_formula_sum '[Na12 Tl12 Au8]'
_cell_volume [894.1391]
_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
[
  Na  Na0  8  0.0000  0.0609  0.6100  1.0
  Na  Na1  4  0.0000  0.3269  0.7500  1.0
  Tl  Tl2  8  0.0000  0.3663  0.5391  1.0
  Tl  Tl3  4  0.0000  0.3906  0.2500  1.0
  Au  Au4  8  0.0000  0.2336  0.1164  1.0
]