data_[Na16Tl2Au4]
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 [9.0796]
_cell_length_b [13.4527]
_cell_length_c [5.5582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8TlAu2]
_chemical_formula_sum '[Na16 Tl2 Au4]'
_cell_volume [655.9259]
_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  8  0.1910  0.1280  0.0835  1.0
  Na  Na1  4  0.0000  0.2427  0.5000  1.0
  Na  Na2  4  0.1248  0.5000  0.3127  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.0000  0.3200  0.0000  1.0
]