data_[Cu3Pd1Au7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.7071]
_cell_length_b [5.7071]
_cell_length_c [6.7110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Cu3PdAu7]
_chemical_formula_sum '[Cu3 Pd1 Au7]'
_cell_volume [189.2992]
_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
[
  Cu  Cu0  3  0.1574  0.8426  0.7800  1.0
  Pd  Pd1  1  0.0000  0.0000  0.4646  1.0
  Au  Au2  3  0.3356  0.1678  0.1009  1.0
  Au  Au3  3  0.5010  0.0019  0.4762  1.0
  Au  Au4  1  0.3333  0.6667  0.0792  1.0
]