data_[Sn1Pd1Au6]
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 [P-6m2]
_cell_length_a [5.9157]
_cell_length_b [5.9157]
_cell_length_c [4.8749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [SnPdAu6]
_chemical_formula_sum '[Sn1 Pd1 Au6]'
_cell_volume [147.7448]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.5000  1.0
  Pd  Pd1  1  0.0000  0.0000  0.0000  1.0
  Au  Au2  3  0.3284  0.1642  0.5000  1.0
  Au  Au3  3  0.5019  0.0039  0.0000  1.0
]