data_[Sn16Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.5439]
_cell_length_b [14.7894]
_cell_length_c [6.9269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Sn2Au3]
_chemical_formula_sum '[Sn16 Au24]'
_cell_volume [875.2680]
_cell_formula_units_Z [8]
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  0.0624  0.2935  0.2239  1.0
  Au  Au1  16  0.0242  0.3989  0.7677  1.0
  Au  Au2  8  0.0000  0.0000  0.6465  1.0
]