data_[Sn16Bi16Au16]
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 [Fddd]
_cell_length_a [5.8250]
_cell_length_b [9.7154]
_cell_length_c [22.1446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [SnBiAu]
_chemical_formula_sum '[Sn16 Bi16 Au16]'
_cell_volume [1253.2148]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.4210  1.0
  Bi  Bi1  16  0.0000  0.1790  0.0000  1.0
  Au  Au2  16  0.0000  0.0000  0.1150  1.0
]