data_Pd3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   13.75
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3Pt
_chemical_formula_sum   'Pd18 Pt6'
_cell_volume   371.42
_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  0.4  0.3  0.02  1.0
  Pd  Pd1  1  0.4  0.46  0.02  1.0
  Pd  Pd2  1  0.4  0.88  0.42  1.0
  Pd  Pd3  1  0.4  0.0  0.41  1.0
  Pd  Pd4  1  0.4  0.17  0.8  1.0
  Pd  Pd5  1  0.4  0.58  0.8  1.0
  Pd  Pd6  1  0.0  0.0  0.01  1.0
  Pd  Pd7  1  0.0  0.18  0.22  1.0
  Pd  Pd8  1  0.0  0.58  0.22  1.0
  Pd  Pd9  1  0.2  0.3  0.02  1.0
  Pd  Pd10  1  0.2  0.46  0.02  1.0
  Pd  Pd11  1  0.19  0.88  0.42  1.0
  Pd  Pd12  1  0.2  0.0  0.41  1.0
  Pd  Pd13  1  0.19  0.17  0.8  1.0
  Pd  Pd14  1  0.19  0.58  0.8  1.0
  Pd  Pd15  1  0.8  0.88  0.82  1.0
  Pd  Pd16  1  0.8  0.3  0.61  1.0
  Pd  Pd17  1  0.8  0.45  0.61  1.0
  Pt  Pt18  1  0.0  0.88  0.83  1.0
  Pt  Pt19  1  0.0  0.3  0.61  1.0
  Pt  Pt20  1  0.0  0.45  0.61  1.0
  Pt  Pt21  1  0.8  0.0  0.0  1.0
  Pt  Pt22  1  0.8  0.18  0.22  1.0
  Pt  Pt23  1  0.8  0.57  0.22  1.0

data_Pd3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.83
_cell_length_b   5.59
_cell_length_c   13.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3Pt
_chemical_formula_sum   'Pd18 Pt6'
_cell_volume   371.42
_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  0.01  0.0  0.0  1.0
  Pd  Pd1  1  0.02  0.2  0.3  1.0
  Pd  Pd2  1  0.02  0.2  0.46  1.0
  Pd  Pd3  1  0.02  0.4  0.3  1.0
  Pd  Pd4  1  0.02  0.4  0.46  1.0
  Pd  Pd5  1  0.22  0.0  0.18  1.0
  Pd  Pd6  1  0.22  0.0  0.58  1.0
  Pd  Pd7  1  0.41  0.2  0.0  1.0
  Pd  Pd8  1  0.41  0.4  0.0  1.0
  Pd  Pd9  1  0.42  0.19  0.88  1.0
  Pd  Pd10  1  0.42  0.4  0.88  1.0
  Pd  Pd11  1  0.61  0.8  0.3  1.0
  Pd  Pd12  1  0.61  0.8  0.45  1.0
  Pd  Pd13  1  0.8  0.19  0.17  1.0
  Pd  Pd14  1  0.8  0.19  0.58  1.0
  Pd  Pd15  1  0.8  0.4  0.17  1.0
  Pd  Pd16  1  0.8  0.4  0.58  1.0
  Pd  Pd17  1  0.82  0.8  0.88  1.0
  Pt  Pt18  1  0.0  0.8  0.0  1.0
  Pt  Pt19  1  0.22  0.8  0.18  1.0
  Pt  Pt20  1  0.22  0.8  0.57  1.0
  Pt  Pt21  1  0.61  0.0  0.3  1.0
  Pt  Pt22  1  0.61  0.0  0.45  1.0
  Pt  Pt23  1  0.83  0.0  0.88  1.0

Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pt Pt Pt Pt Pt Pt
Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pt Pt Pt Pt Pt Pt 0 9 o o o 1 10 o o o 2 11 o o o 3 12 o o o 4 13 o o o 5 14 o o o 6 21 - o o 7 22 - o o 8 23 - o o 15 18 + o o 16 19 + o o 17 20 + o o 