data_Si2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   16.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Pd
_chemical_formula_sum   'Si16 Pd8'
_cell_volume   356.87
_cell_formula_units_Z   8
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  Si8  1  0.0  0.91  0.21  1.0
  Si  Si9  1  0.52  0.45  0.02  1.0
  Si  Si10  1  0.52  0.45  0.1  1.0
  Si  Si11  1  0.0  0.91  0.14  1.0
  Si  Si12  1  0.26  0.18  0.12  1.0
  Si  Si13  1  0.52  0.0  0.12  1.0
  Si  Si14  1  0.74  0.18  0.12  1.0
  Si  Si15  1  0.26  0.18  0.0  1.0
  Si  Si16  1  0.52  0.0  0.0  1.0
  Si  Si17  1  0.74  0.18  0.0  1.0
  Si  Si18  1  0.68  0.67  0.18  1.0
  Si  Si19  1  0.0  0.39  0.18  1.0
  Si  Si20  1  0.32  0.67  0.18  1.0
  Si  Si21  1  0.84  0.69  0.06  1.0
  Si  Si22  1  0.52  0.97  0.06  1.0
  Si  Si23  1  0.2  0.69  0.06  1.0
  Pd  Pd0  1  0.0  0.0  0.57  1.0
  Pd  Pd1  1  0.0  0.0  0.67  1.0
  Pd  Pd2  1  0.0  0.0  0.45  1.0
  Pd  Pd3  1  0.0  0.0  0.79  1.0
  Pd  Pd4  1  0.0  0.91  0.53  1.0
  Pd  Pd5  1  0.52  0.45  0.71  1.0
  Pd  Pd6  1  0.52  0.45  0.65  1.0
  Pd  Pd7  1  0.0  0.91  0.59  1.0

data_Si2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   16.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Pd
_chemical_formula_sum   'Si16 Pd8'
_cell_volume   356.87
_cell_formula_units_Z   8
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  Si0  1  0.0  0.39  0.18  1.0
  Si  Si1  1  0.0  0.91  0.14  1.0
  Si  Si2  1  0.0  0.91  0.21  1.0
  Si  Si3  1  0.2  0.69  0.06  1.0
  Si  Si4  1  0.26  0.18  0.0  1.0
  Si  Si5  1  0.26  0.18  0.12  1.0
  Si  Si6  1  0.32  0.67  0.18  1.0
  Si  Si7  1  0.52  0.0  0.0  1.0
  Si  Si8  1  0.52  0.0  0.12  1.0
  Si  Si9  1  0.52  0.45  0.02  1.0
  Si  Si10  1  0.52  0.45  0.1  1.0
  Si  Si11  1  0.52  0.97  0.06  1.0
  Si  Si12  1  0.68  0.67  0.18  1.0
  Si  Si13  1  0.74  0.18  0.0  1.0
  Si  Si14  1  0.74  0.18  0.12  1.0
  Si  Si15  1  0.84  0.69  0.06  1.0
  Pd  Pd16  1  0.0  0.0  0.45  1.0
  Pd  Pd17  1  0.0  0.0  0.57  1.0
  Pd  Pd18  1  0.0  0.0  0.67  1.0
  Pd  Pd19  1  0.0  0.0  0.79  1.0
  Pd  Pd20  1  0.0  0.91  0.53  1.0
  Pd  Pd21  1  0.0  0.91  0.59  1.0
  Pd  Pd22  1  0.52  0.45  0.65  1.0
  Pd  Pd23  1  0.52  0.45  0.71  1.0

Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Pd Pd Pd Pd Pd Pd Pd Pd
Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Pd Pd Pd Pd Pd Pd Pd Pd 0 3 o o o 0 10 - o o 1 7 o o o 1 2 o o o 1 13 o o o 2 4 o o o 2 10 o o o 2 13 o o o 3 4 o + o 3 10 - o o 3 13 - o o 5 14 o - o 5 6 o o o 5 12 o - o 5 15 o - o 6 11 + o o 8 14 o - o 8 9 o o o 8 15 o - o 10 12 o o o 11 12 o o o 13 15 + o o 14 15 o o o 16 23 o - o 16 17 o o o 16 20 o - o 17 23 o - o 17 19 o o o 18 20 o - o 21 22 o o o 