data_Pd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   4.26
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2Pb
_chemical_formula_sum   'Pd8 Pb4'
_cell_volume   223.19
_cell_formula_units_Z   4
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
  Pd  Pd4  1  0.52  0.06  0.03  1.0
  Pd  Pd5  1  0.89  0.06  0.06  1.0
  Pd  Pd6  1  0.07  0.19  0.64  1.0
  Pd  Pd7  1  0.44  0.19  0.45  1.0
  Pd  Pd8  1  0.48  0.06  0.4  1.0
  Pd  Pd9  1  0.85  0.06  0.22  1.0
  Pd  Pd10  1  0.03  0.19  0.79  1.0
  Pd  Pd11  1  0.4  0.19  0.83  1.0
  Pb  Pb0  1  0.06  0.06  0.92  1.0
  Pb  Pb1  1  0.9  0.19  0.5  1.0
  Pb  Pb2  1  0.02  0.06  0.36  1.0
  Pb  Pb3  1  0.86  0.19  0.93  1.0

data_Pd2Pb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.26
_cell_length_b   5.92
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pd2Pb
_chemical_formula_sum   'Pd8 Pb4'
_cell_volume   223.19
_cell_formula_units_Z   4
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
  Pd  Pd0  2  0.44  0.52  0.47  1.0
  Pd  Pd1  2  0.44  0.89  0.29  1.0
  Pd  Pd2  2  0.44  0.56  0.1  1.0
  Pd  Pd3  2  0.44  0.93  0.14  1.0
  Pb  Pb4  2  0.44  0.06  0.43  1.0
  Pb  Pb5  2  0.44  0.1  1.0  1.0

Pd Pd Pd Pd Pd Pd Pd Pd Pb Pb Pb Pb
Pd Pd Pd Pd Pd Pd Pd Pd Pb Pb Pb Pb 0 7 o o - 0 11 o o - 0 1 o o o 1 11 o o - 1 5 o o o 1 8 + o - 2 9 - o o 2 6 o o o 3 4 o o o 5 10 + o o 6 11 - o o 6 8 o o o 6 7 o o o 7 8 o o o 8 11 - o o 9 10 + o o 