data_SbPPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPPd
_chemical_formula_sum   'Sb4 P4 Pd4'
_cell_volume   246.85
_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  Sb8  1  0.69  0.72  0.56  1.0
  Sb  Sb9  1  0.72  0.56  0.69  1.0
  Sb  Sb10  1  0.58  0.58  0.58  1.0
  Sb  Sb11  1  0.56  0.69  0.72  1.0
  P  P0  1  0.6  0.67  0.54  1.0
  P  P1  1  0.54  0.6  0.67  1.0
  P  P2  1  0.67  0.54  0.6  1.0
  P  P3  1  0.74  0.74  0.74  1.0
  Pd  Pd4  1  0.02  0.02  0.02  1.0
  Pd  Pd5  1  0.12  0.26  0.15  1.0
  Pd  Pd6  1  0.26  0.15  0.12  1.0
  Pd  Pd7  1  0.15  0.12  0.26  1.0

data_SbPPd
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   10.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   SbPPd
_chemical_formula_sum   'Sb12 P12 Pd12'
_cell_volume   740.54
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  0.04  0.1  0.66  1.0
  Sb  Sb1  3  0.0  0.0  0.58  1.0
  P  P2  9  0.07  0.0  0.6  1.0
  P  P3  3  0.0  0.0  0.74  1.0
  Pd  Pd4  9  0.08  0.06  0.18  1.0
  Pd  Pd5  3  0.0  0.0  0.02  1.0

Sb Sb Sb Sb P P P P Pd Pd Pd Pd