data_Sb3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31
_cell_length_b   10.25
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Pd
_chemical_formula_sum   'Sb18 Pd6'
_cell_volume   597.63
_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
  Sb  Sb6  1  0.63  0.74  0.13  1.0
  Sb  Sb7  1  0.63  0.52  0.13  1.0
  Sb  Sb8  1  0.07  0.13  0.38  1.0
  Sb  Sb9  1  0.08  0.0  0.64  1.0
  Sb  Sb10  1  0.52  0.86  0.88  1.0
  Sb  Sb11  1  0.52  0.39  0.88  1.0
  Sb  Sb12  1  0.15  0.0  0.96  1.0
  Sb  Sb13  1  0.15  0.07  0.43  1.0
  Sb  Sb14  1  0.15  0.18  0.43  1.0
  Sb  Sb15  1  0.67  0.74  0.13  1.0
  Sb  Sb16  1  0.67  0.52  0.13  1.0
  Sb  Sb17  1  0.24  0.13  0.38  1.0
  Sb  Sb18  1  0.22  0.0  0.64  1.0
  Sb  Sb19  1  0.78  0.86  0.88  1.0
  Sb  Sb20  1  0.78  0.39  0.88  1.0
  Sb  Sb21  1  0.0  0.13  0.06  1.0
  Sb  Sb22  1  0.0  0.94  0.59  1.0
  Sb  Sb23  1  0.0  0.31  0.59  1.0
  Pd  Pd0  1  0.15  0.13  0.26  1.0
  Pd  Pd1  1  0.15  0.51  0.69  1.0
  Pd  Pd2  1  0.15  0.74  0.69  1.0
  Pd  Pd3  1  0.0  0.0  0.76  1.0
  Pd  Pd4  1  0.0  0.63  0.33  1.0
  Pd  Pd5  1  0.0  0.62  0.33  1.0

data_Sb3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.02
_cell_length_b   8.31
_cell_length_c   10.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Pd
_chemical_formula_sum   'Sb18 Pd6'
_cell_volume   597.63
_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
  Sb  Sb0  1  0.06  0.0  0.13  1.0
  Sb  Sb1  1  0.13  0.63  0.52  1.0
  Sb  Sb2  1  0.13  0.63  0.74  1.0
  Sb  Sb3  1  0.13  0.67  0.52  1.0
  Sb  Sb4  1  0.13  0.67  0.74  1.0
  Sb  Sb5  1  0.38  0.07  0.13  1.0
  Sb  Sb6  1  0.38  0.24  0.13  1.0
  Sb  Sb7  1  0.43  0.15  0.07  1.0
  Sb  Sb8  1  0.43  0.15  0.18  1.0
  Sb  Sb9  1  0.59  0.0  0.31  1.0
  Sb  Sb10  1  0.59  0.0  0.94  1.0
  Sb  Sb11  1  0.64  0.08  0.0  1.0
  Sb  Sb12  1  0.64  0.22  0.0  1.0
  Sb  Sb13  1  0.88  0.52  0.39  1.0
  Sb  Sb14  1  0.88  0.52  0.86  1.0
  Sb  Sb15  1  0.88  0.78  0.39  1.0
  Sb  Sb16  1  0.88  0.78  0.86  1.0
  Sb  Sb17  1  0.96  0.15  0.0  1.0
  Pd  Pd18  1  0.26  0.15  0.13  1.0
  Pd  Pd19  1  0.33  0.0  0.62  1.0
  Pd  Pd20  1  0.33  0.0  0.63  1.0
  Pd  Pd21  1  0.69  0.15  0.51  1.0
  Pd  Pd22  1  0.69  0.15  0.74  1.0
  Pd  Pd23  1  0.76  0.0  0.0  1.0

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