data_Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   7.18
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3Pd
_chemical_formula_sum   'Si12 Pd4'
_cell_volume   252.43
_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
  Si  Si4  1  0.16  0.38  0.25  1.0
  Si  Si5  1  0.79  0.79  0.26  1.0
  Si  Si6  1  0.11  0.38  0.7  1.0
  Si  Si7  1  0.74  0.79  0.72  1.0
  Si  Si8  1  0.55  0.68  0.2  1.0
  Si  Si9  1  0.3  0.49  0.18  1.0
  Si  Si10  1  0.6  0.08  0.78  1.0
  Si  Si11  1  0.35  0.09  0.76  1.0
  Si  Si12  1  0.35  0.49  0.76  1.0
  Si  Si13  1  0.6  0.68  0.78  1.0
  Si  Si14  1  0.3  0.09  0.18  1.0
  Si  Si15  1  0.55  0.08  0.2  1.0
  Pd  Pd0  1  0.76  0.38  0.86  1.0
  Pd  Pd1  1  0.19  0.79  0.85  1.0
  Pd  Pd2  1  0.71  0.38  0.12  1.0
  Pd  Pd3  1  0.13  0.79  0.1  1.0

data_Si3Pd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.9
_cell_length_b   5.96
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Si3Pd
_chemical_formula_sum   'Si12 Pd4'
_cell_volume   252.43
_cell_formula_units_Z   4
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
  Si  Si0  2  0.16  0.72  0.79  1.0
  Si  Si1  2  0.21  0.26  0.79  1.0
  Si  Si2  2  0.35  0.2  0.51  1.0
  Si  Si3  2  0.35  0.2  0.91  1.0
  Si  Si4  2  0.4  0.78  0.51  1.0
  Si  Si5  2  0.4  0.78  0.91  1.0
  Pd  Pd6  2  0.19  0.12  0.21  1.0
  Pd  Pd7  2  0.24  0.86  0.21  1.0

Si Si Si Si Si Si Si Si Si Si Si Si Pd Pd Pd Pd