data_[Sn4Bi2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8130]
_cell_length_b [3.8432]
_cell_length_c [9.3747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn2BiAu8]
_chemical_formula_sum '[Sn4 Bi2 Au16]'
_cell_volume [474.0008]
_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
[
  Sn  Sn0  4  0.1901  0.0000  0.6259  1
  Bi  Bi1  2  0.0000  0.5000  0.0000  1
  Au  Au2  4  0.0489  0.5000  0.4066  1
  Au  Au3  4  0.0794  0.0000  0.8257  1
  Au  Au4  4  0.1403  0.0000  0.2798  1
  Au  Au5  4  0.2371  0.5000  0.8785  1
]