data_[Pd6W1Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  W  2.3600  1.3500  0.7667
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.2534]
_cell_length_b [5.2534]
_cell_length_c [7.1765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Pd6WAu3]
_chemical_formula_sum '[Pd6 W1 Au3]'
_cell_volume [171.5261]
_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
[
  Pd  Pd0  6  0.0000  0.4025  0.8204  1
  W  W1  1  0.0000  0.0000  0.0000  1
  Au  Au2  2  0.3333  0.6667  0.5000  1
  Au  Au3  1  0.0000  0.0000  0.5000  1
]