data_CuPb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.53
_cell_angle_alpha   104.43
_cell_angle_beta   104.43
_cell_angle_gamma   50.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPb2Au
_chemical_formula_sum   'Cu1 Pb2 Au1'
_cell_volume   96.8
_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  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.7  0.0  0.81  1.0
  Pb  Pb3  1  0.63  0.0  0.47  1.0
  Au  Au0  1  0.16  0.0  0.14  1.0

data_CuPb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.48
_cell_length_c   6.53
_cell_angle_alpha   104.43
_cell_angle_beta   90.0
_cell_angle_gamma   115.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPb2Au
_chemical_formula_sum   'Cu1 Pb2 Au1'
_cell_volume   96.8
_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  0.0  0.3  0.19  1.0
  Pb  Pb2  1  0.0  0.37  0.53  1.0
  Au  Au3  1  0.0  0.84  0.86  1.0

Cu Pb Pb Au