data_BaCu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.64
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCu2Pb
_chemical_formula_sum   'Ba1 Cu2 Pb1'
_cell_volume   97.22
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.73  0.82  0.73  1.0
  Cu  Cu2  1  0.0  0.0  0.48  1.0
  Pb  Pb3  1  0.73  0.82  0.34  1.0

data_BaCu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.64
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCu2Pb
_chemical_formula_sum   'Ba1 Cu2 Pb1'
_cell_volume   97.22
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.48  1.0
  Cu  Cu2  1  0.73  0.82  0.73  1.0
  Pb  Pb3  1  0.73  0.82  0.34  1.0

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