data_PdPb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.71
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPb2Au
_chemical_formula_sum   'Pd1 Pb2 Au1'
_cell_volume   91.85
_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  Pd3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.78  0.85  0.28  1.0
  Pb  Pb2  1  0.78  0.85  0.67  1.0
  Au  Au0  1  0.0  0.0  0.47  1.0

data_PdPb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.71
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPb2Au
_chemical_formula_sum   'Pd1 Pb2 Au1'
_cell_volume   91.85
_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  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.78  0.85  0.28  1.0
  Pb  Pb2  1  0.78  0.85  0.67  1.0
  Au  Au3  1  0.0  0.0  0.47  1.0

Pd Pb Pb Au