data_[Pd7Pt3Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5664]
_cell_length_b [5.5664]
_cell_length_c [6.7695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pd7Pt3Au]
_chemical_formula_sum '[Pd7 Pt3 Au1]'
_cell_volume [181.6477]
_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  3  0.3399  0.1700  0.8908  1
  Pd  Pd1  3  0.5021  0.0042  0.5445  1
  Pd  Pd2  1  0.3333  0.6667  0.8835  1
  Pt  Pt3  3  0.1675  0.3351  0.2141  1
  Au  Au4  1  0.0000  0.0000  0.5533  1
]