data_[Sn8Bi4Au16]
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 [P-1]
_cell_length_a [6.4059]
_cell_length_b [6.9055]
_cell_length_c [15.0864]
_cell_angle_alpha [88.9416]
_cell_angle_beta [84.7560]
_cell_angle_gamma [85.6979]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sn2BiAu4]
_chemical_formula_sum '[Sn8 Bi4 Au16]'
_cell_volume [662.6439]
_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
[
  Sn  Sn0  2  0.0766  0.0380  0.1924  1
  Sn  Sn1  2  0.0999  0.2120  0.4868  1
  Sn  Sn2  2  0.3263  0.6326  0.3096  1
  Sn  Sn3  2  0.4086  0.7653  0.9997  1
  Bi  Bi4  2  0.2039  0.4743  0.8361  1
  Bi  Bi5  2  0.3888  0.8753  0.6605  1
  Au  Au6  2  0.0148  0.3510  0.3167  1
  Au  Au7  2  0.1066  0.2245  0.6815  1
  Au  Au8  2  0.1492  0.0826  0.9429  1
  Au  Au9  2  0.1815  0.4362  0.0420  1
  Au  Au10  2  0.3465  0.8577  0.4632  1
  Au  Au11  2  0.3468  0.4803  0.5708  1
  Au  Au12  2  0.4075  0.3064  0.1857  1
  Au  Au13  2  0.4928  0.8778  0.1769  1
]