data_SbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   141.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPd
_chemical_formula_sum   'Sb2 Pd2'
_cell_volume   80.29
_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  Sb2  1  0.84  0.52  0.15  1.0
  Sb  Sb3  1  0.84  0.48  0.05  1.0
  Pd  Pd0  1  0.84  0.75  0.15  1.0
  Pd  Pd1  1  0.84  0.25  0.05  1.0

data_SbPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.67
_cell_length_b   4.2
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   109.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SbPd
_chemical_formula_sum   'Sb2 Pd2'
_cell_volume   80.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.48  0.55  0.48  1.0
  Pd  Pd1  2  0.25  0.55  0.25  1.0

Sb Sb Pd Pd
Sb Sb Pd Pd 0 1 o o o 0 2 o o o 1 3 o o o 