data_SbPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   8.56
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPd3
_chemical_formula_sum   'Sb4 Pd12'
_cell_volume   272.14
_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
  Sb  Sb12  1  0.47  0.42  0.92  1.0
  Sb  Sb13  1  0.0  0.14  0.11  1.0
  Sb  Sb14  1  0.65  0.42  0.52  1.0
  Sb  Sb15  1  0.18  0.14  0.71  1.0
  Pd  Pd0  1  0.6  0.42  0.19  1.0
  Pd  Pd1  1  0.87  0.14  0.0  1.0
  Pd  Pd2  1  0.78  0.42  0.63  1.0
  Pd  Pd3  1  0.05  0.14  0.44  1.0
  Pd  Pd4  1  0.17  0.47  0.95  1.0
  Pd  Pd5  1  0.66  0.09  0.13  1.0
  Pd  Pd6  1  0.99  0.37  0.5  1.0
  Pd  Pd7  1  0.48  0.19  0.68  1.0
  Pd  Pd8  1  0.48  0.09  0.68  1.0
  Pd  Pd9  1  0.99  0.47  0.5  1.0
  Pd  Pd10  1  0.66  0.19  0.13  1.0
  Pd  Pd11  1  0.17  0.37  0.95  1.0

data_SbPd3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.63
_cell_length_b   5.65
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SbPd3
_chemical_formula_sum   'Sb4 Pd12'
_cell_volume   272.14
_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
  Sb  Sb0  2  0.21  0.32  0.14  1.0
  Sb  Sb1  2  0.39  0.85  0.86  1.0
  Pd  Pd2  2  0.13  0.72  0.86  1.0
  Pd  Pd3  2  0.18  0.67  0.09  1.0
  Pd  Pd4  2  0.18  0.67  0.19  1.0
  Pd  Pd5  2  0.31  0.45  0.14  1.0
  Pd  Pd6  2  0.37  0.16  0.81  1.0
  Pd  Pd7  2  0.37  0.16  0.91  1.0

Sb Sb Sb Sb Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd
Sb Sb Sb Sb Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd 0 15 o o o 0 8 o o o 0 4 o o + 1 5 - o o 1 7 o o o 2 6 o o o 2 4 o o o 3 7 o o o 3 12 o o o 3 11 o o o 4 14 o o o 7 10 - o o 8 15 o o o 9 14 o o o 10 13 o o o 11 12 o o o 