data_[Na2Tl22Au10]
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 [11.8828]
_cell_length_b [13.6304]
_cell_length_c [6.0886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl11Au5]
_chemical_formula_sum '[Na2 Tl22 Au10]'
_cell_volume [944.9047]
_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  0.0000  0.0000  0.0000  1
  Tl  Tl1  8  0.1106  0.2268  0.2920  1
  Tl  Tl2  8  0.1388  0.3731  0.7866  1
  Tl  Tl3  4  0.2146  0.5000  0.3720  1
  Tl  Tl4  2  0.0000  0.0000  0.5000  1
  Au  Au5  8  0.1462  0.1519  0.8180  1
  Au  Au6  2  0.0000  0.5000  0.0000  1
]