data_SbP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   4.63
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbP2Pd
_chemical_formula_sum   'Sb1 P2 Pd1'
_cell_volume   71.26
_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  Sb3  1  0.0  0.32  0.34  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.64  0.0  0.34  1.0
  Pd  Pd2  1  0.64  0.32  0.0  1.0

data_SbP2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.63
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbP2Pd
_chemical_formula_sum   'Sb1 P2 Pd1'
_cell_volume   71.26
_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  Sb0  1  0.0  0.32  0.34  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.64  0.0  0.34  1.0
  Pd  Pd3  1  0.64  0.32  -0.0  1.0

Sb P P Pd
Sb P P Pd 0 2 - o o 0 3 - o o 0 1 o o o 1 3 - o o 1 2 - o o 2 3 o o o 