data_[Sn18Pd24Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.9135]
_cell_length_b [7.9135]
_cell_length_c [16.6201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sn6Pd8Au]
_chemical_formula_sum '[Sn18 Pd24 Au3]'
_cell_volume [901.3688]
_cell_formula_units_Z [3]
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  18  0.0070  0.3195  0.2296  1.0
  Pd  Pd1  18  0.0009  0.3492  0.7305  1.0
  Pd  Pd2  6  0.0000  0.0000  0.3220  1.0
  Au  Au3  3  0.0000  0.0000  0.0000  1.0
]