data_As2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.06
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2PdAu
_chemical_formula_sum   'As2 Pd1 Au1'
_cell_volume   71.63
_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
  As  As0  1  0.54  0.03  0.43  1.0
  As  As1  1  0.0  0.0  0.61  1.0
  Pd  Pd3  1  0.0  0.0  0.51  1.0
  Au  Au2  1  0.54  0.03  0.77  1.0

data_As2PdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.06
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2PdAu
_chemical_formula_sum   'As2 Pd1 Au1'
_cell_volume   71.63
_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
  As  As0  1  0.0  0.0  0.61  1.0
  As  As1  1  0.54  0.03  0.43  1.0
  Pd  Pd2  1  0.0  0.0  0.51  1.0
  Au  Au3  1  0.54  0.03  0.77  1.0

As As Pd Au