data_AlPd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   133.01
_cell_angle_beta   126.36
_cell_angle_gamma   74.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2Au
_chemical_formula_sum   'Al1 Pd2 Au1'
_cell_volume   62.91
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.91  0.0  0.76  1.0
  Pd  Pd3  1  0.0  0.16  0.06  1.0
  Au  Au1  1  0.0  0.0  0.82  1.0

data_AlPd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.32
_cell_length_c   4.78
_cell_angle_alpha   116.82
_cell_angle_beta   113.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2Au
_chemical_formula_sum   'Al1 Pd2 Au1'
_cell_volume   62.91
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.15  0.24  0.15  1.0
  Pd  Pd2  1  0.94  0.1  0.1  1.0
  Au  Au3  1  0.18  0.18  0.18  1.0

Al Pd Pd Au