data_Cu2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PbAu
_chemical_formula_sum   'Cu2 Pb1 Au1'
_cell_volume   69.78
_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  Cu1  1  0.54  0.42  0.8  1.0
  Cu  Cu2  1  0.54  0.58  0.8  1.0
  Pb  Pb3  1  0.08  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Cu2PbAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.6
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cu2PbAu
_chemical_formula_sum   'Cu2 Pb1 Au1'
_cell_volume   69.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.8  0.42  0.54  1.0
  Pb  Pb1  1  0.0  0.0  0.08  1.0
  Au  Au2  1  0.0  0.0  0.0  1.0

Cu Cu Pb Au