data_[Na2Tl4Au4]
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 [P2_1/m]
_cell_length_a [5.7321]
_cell_length_b [4.6073]
_cell_length_c [10.5048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na(TlAu)2]
_chemical_formula_sum '[Na2 Tl4 Au4]'
_cell_volume [271.8810]
_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  2  0.3944  0.7500  0.2230  1.0
  Tl  Tl1  2  0.0924  0.7500  0.8780  1.0
  Tl  Tl2  2  0.2660  0.7500  0.5600  1.0
  Au  Au3  2  0.2124  0.2500  0.3789  1.0
  Au  Au4  2  0.3547  0.2500  0.0134  1.0
]