data_AlCu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.22
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   97.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Pb
_chemical_formula_sum   'Al1 Cu2 Pb1'
_cell_volume   70.2
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.57  0.61  0.31  1.0
  Cu  Cu2  1  0.58  0.61  0.85  1.0
  Pb  Pb3  1  0.55  0.0  0.58  1.0

data_AlCu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.22
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   97.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Pb
_chemical_formula_sum   'Al1 Cu2 Pb1'
_cell_volume   70.2
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.57  0.61  0.31  1.0
  Cu  Cu2  1  0.58  0.61  0.85  1.0
  Pb  Pb3  1  0.55  0.0  0.58  1.0

Al Cu Cu Pb
Al Cu Cu Pb 0 2 - - - 0 2 o - - 0 2 - o - 0 1 o o o 0 1 o - o 0 1 - - o 1 3 o o o 1 3 o + o 1 1 + o o 1 1 o + o 1 2 o o - 2 3 o + o 2 3 o o o 