data_CuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   5.59
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPb
_chemical_formula_sum   'Cu2 Pb2'
_cell_volume   87.91
_cell_formula_units_Z   2
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  0.98  1.0
  Cu  Cu1  1  0.78  0.79  0.45  1.0
  Pb  Pb2  1  0.78  0.0  0.79  1.0
  Pb  Pb3  1  0.0  0.79  0.64  1.0

data_CuPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.55
_cell_length_b   4.43
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuPb
_chemical_formula_sum   'Cu2 Pb2'
_cell_volume   87.91
_cell_formula_units_Z   2
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  0.11  0.27  0.1  1.0
  Pb  Pb1  2  0.11  0.92  0.9  1.0

Cu Cu Pb Pb