data_Pd5Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd5Pb3
_chemical_formula_sum   'Pd5 Pb3'
_cell_volume   152.6
_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
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Pd  Pd4  1  0.89  0.24  0.0  1.0
  Pd  Pd5  1  0.89  0.76  0.0  1.0
  Pd  Pd6  1  0.17  0.0  0.26  1.0
  Pd  Pd7  1  0.37  0.0  0.26  1.0
  Pb  Pb0  1  0.77  0.0  0.0  1.0
  Pb  Pb1  1  0.77  0.37  0.26  1.0
  Pb  Pb2  1  0.77  0.63  0.26  1.0

data_Pd5Pb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   99.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd5Pb3
_chemical_formula_sum   'Pd5 Pb3'
_cell_volume   152.6
_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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.89  0.24  1.0
  Pd  Pd2  1  0.0  0.89  0.76  1.0
  Pd  Pd3  1  0.26  0.17  0.0  1.0
  Pd  Pd4  1  0.26  0.37  0.0  1.0
  Pb  Pb5  1  0.0  0.77  0.0  1.0
  Pb  Pb6  1  0.26  0.77  0.37  1.0
  Pb  Pb7  1  0.26  0.77  0.63  1.0

Pd Pd Pd Pd Pd Pb Pb Pb
Pd Pd Pd Pd Pd Pb Pb Pb 0 2 - - o 0 5 - o o 0 1 - o o 0 3 o o o 1 5 o o o 1 6 o o o 2 7 o o o 2 5 o + o 3 4 o o o 6 7 o o o 