data_CuPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   4.38
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   107.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPbAu2
_chemical_formula_sum   'Cu1 Pb1 Au2'
_cell_volume   80.48
_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  Cu2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.87  0.0  0.67  1.0
  Au  Au0  1  0.21  0.19  0.16  1.0
  Au  Au1  1  0.53  0.19  0.17  1.0

data_CuPbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.38
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   107.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPbAu2
_chemical_formula_sum   'Cu1 Pb1 Au2'
_cell_volume   80.48
_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  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.87  0.0  0.67  1.0
  Au  Au2  1  0.21  0.19  0.16  1.0
  Au  Au3  1  0.53  0.19  0.17  1.0

Cu Pb Au Au