data_SbPPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPPd
_chemical_formula_sum   'Sb2 P2 Pd2'
_cell_volume   112.68
_cell_formula_units_Z   2
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  Sb4  1  0.38  0.37  0.44  1.0
  Sb  Sb5  1  0.0  0.75  0.31  1.0
  P  P0  1  0.38  0.37  0.31  1.0
  P  P1  1  0.0  0.75  0.44  1.0
  Pd  Pd2  1  0.0  0.0  0.87  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_SbPPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPPd
_chemical_formula_sum   'Sb2 P2 Pd2'
_cell_volume   112.68
_cell_formula_units_Z   2
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  0.75  0.31  1.0
  Sb  Sb1  1  0.38  0.37  0.44  1.0
  P  P2  1  -0.0  0.75  0.44  1.0
  P  P3  1  0.38  0.37  0.31  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.0  0.0  0.87  1.0

Sb Sb P P Pd Pd
Sb Sb P P Pd Pd 0 2 o o o 1 3 o o o 4 5 o o + 