data_Sb4P3Pd8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb4P3Pd8
_chemical_formula_sum   'Sb4 P3 Pd8'
_cell_volume   267.79
_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
  Sb  Sb11  1  0.22  0.0  0.22  1.0
  Sb  Sb12  1  0.0  0.22  0.22  1.0
  Sb  Sb13  1  0.22  0.22  0.0  1.0
  Sb  Sb14  1  0.0  0.0  0.0  1.0
  P  P0  1  0.0  0.22  0.0  1.0
  P  P1  1  0.22  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.22  1.0
  Pd  Pd3  1  0.64  0.64  0.81  1.0
  Pd  Pd4  1  0.81  0.81  0.81  1.0
  Pd  Pd5  1  0.64  0.81  0.64  1.0
  Pd  Pd6  1  0.81  0.64  0.64  1.0
  Pd  Pd7  1  0.64  0.64  0.64  1.0
  Pd  Pd8  1  0.81  0.81  0.64  1.0
  Pd  Pd9  1  0.81  0.64  0.81  1.0
  Pd  Pd10  1  0.64  0.81  0.81  1.0

data_Sb4P3Pd8
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.12
_cell_length_b   9.12
_cell_length_c   11.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sb4P3Pd8
_chemical_formula_sum   'Sb12 P9 Pd24'
_cell_volume   803.37
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.07  0.15  0.15  1.0
  Sb  Sb1  3  0.0  0.0  0.0  1.0
  P  P2  9  0.15  0.07  0.07  1.0
  Pd  Pd3  9  0.06  0.11  0.75  1.0
  Pd  Pd4  9  0.11  0.06  0.7  1.0
  Pd  Pd5  3  0.0  0.0  0.64  1.0
  Pd  Pd6  3  0.0  0.0  0.81  1.0

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