data_PdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.77
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPb2
_chemical_formula_sum   'Pd2 Pb4'
_cell_volume   159.25
_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
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.26  0.39  0.8  1.0
  Pb  Pb0  1  0.33  0.45  0.0  1.0
  Pb  Pb1  1  0.93  0.84  0.8  1.0
  Pb  Pb2  1  0.58  0.93  0.8  1.0
  Pb  Pb3  1  0.19  0.32  0.0  1.0

data_PdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   6.51
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPb2
_chemical_formula_sum   'Pd2 Pb4'
_cell_volume   159.25
_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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.8  0.26  0.39  1.0
  Pb  Pb2  1  0.0  0.19  0.32  1.0
  Pb  Pb3  1  0.0  0.33  0.45  1.0
  Pb  Pb4  1  0.8  0.58  0.93  1.0
  Pb  Pb5  1  0.8  0.93  0.84  1.0

Pd Pd Pb Pb Pb Pb