data_Pd3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   14.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3Pb
_chemical_formula_sum   'Pd18 Pb6'
_cell_volume   416.81
_cell_formula_units_Z   6
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  Pd6  1  0.59  0.55  0.63  1.0
  Pd  Pd7  1  0.33  0.5  0.54  1.0
  Pd  Pd8  1  0.0  0.68  0.01  1.0
  Pd  Pd9  1  0.0  0.68  0.25  1.0
  Pd  Pd10  1  0.54  0.21  0.01  1.0
  Pd  Pd11  1  0.54  0.21  0.25  1.0
  Pd  Pd12  1  0.45  0.84  0.17  1.0
  Pd  Pd13  1  0.45  0.84  0.92  1.0
  Pd  Pd14  1  0.0  0.99  0.63  1.0
  Pd  Pd15  1  0.91  0.05  0.54  1.0
  Pd  Pd16  1  0.41  0.55  0.63  1.0
  Pd  Pd17  1  0.5  0.5  0.54  1.0
  Pd  Pd18  1  0.46  0.21  0.01  1.0
  Pd  Pd19  1  0.46  0.21  0.25  1.0
  Pd  Pd20  1  0.37  0.84  0.17  1.0
  Pd  Pd21  1  0.37  0.84  0.92  1.0
  Pd  Pd22  1  0.91  0.37  0.17  1.0
  Pd  Pd23  1  0.91  0.37  0.92  1.0
  Pb  Pb0  1  0.0  0.0  0.63  1.0
  Pb  Pb1  1  0.0  0.0  0.54  1.0
  Pb  Pb2  1  0.0  0.36  0.21  1.0
  Pb  Pb3  1  0.0  0.36  0.88  1.0
  Pb  Pb4  1  0.91  0.68  0.97  1.0
  Pb  Pb5  1  0.91  0.68  0.3  1.0

data_Pd3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   14.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3Pb
_chemical_formula_sum   'Pd18 Pb6'
_cell_volume   416.81
_cell_formula_units_Z   6
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  0.68  0.01  1.0
  Pd  Pd1  1  0.0  0.68  0.25  1.0
  Pd  Pd2  1  0.0  0.99  0.63  1.0
  Pd  Pd3  1  0.33  0.5  0.54  1.0
  Pd  Pd4  1  0.37  0.84  0.17  1.0
  Pd  Pd5  1  0.37  0.84  0.92  1.0
  Pd  Pd6  1  0.41  0.55  0.63  1.0
  Pd  Pd7  1  0.45  0.84  0.17  1.0
  Pd  Pd8  1  0.45  0.84  0.92  1.0
  Pd  Pd9  1  0.46  0.21  0.01  1.0
  Pd  Pd10  1  0.46  0.21  0.25  1.0
  Pd  Pd11  1  0.5  0.5  0.54  1.0
  Pd  Pd12  1  0.54  0.21  0.01  1.0
  Pd  Pd13  1  0.54  0.21  0.25  1.0
  Pd  Pd14  1  0.59  0.55  0.63  1.0
  Pd  Pd15  1  0.91  0.05  0.54  1.0
  Pd  Pd16  1  0.91  0.37  0.17  1.0
  Pd  Pd17  1  0.91  0.37  0.92  1.0
  Pb  Pb18  1  0.0  0.0  0.54  1.0
  Pb  Pb19  1  0.0  0.0  0.63  1.0
  Pb  Pb20  1  0.0  0.36  0.21  1.0
  Pb  Pb21  1  0.0  0.36  0.88  1.0
  Pb  Pb22  1  0.91  0.68  0.3  1.0
  Pb  Pb23  1  0.91  0.68  0.97  1.0

Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pb Pb Pb Pb Pb Pb