data_Sn3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   15.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Pd
_chemical_formula_sum   'Sn18 Pd6'
_cell_volume   564.83
_cell_formula_units_Z   6
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
  Sn  Sn6  1  0.76  0.75  0.82  1.0
  Sn  Sn7  1  0.45  0.82  0.94  1.0
  Sn  Sn8  1  0.0  0.86  0.45  1.0
  Sn  Sn9  1  0.0  0.86  0.18  1.0
  Sn  Sn10  1  0.39  0.64  0.45  1.0
  Sn  Sn11  1  0.39  0.64  0.18  1.0
  Sn  Sn12  1  0.61  0.93  0.3  1.0
  Sn  Sn13  1  0.61  0.93  0.58  1.0
  Sn  Sn14  1  0.22  0.07  0.82  1.0
  Sn  Sn15  1  0.0  0.5  0.94  1.0
  Sn  Sn16  1  0.67  0.75  0.82  1.0
  Sn  Sn17  1  0.55  0.82  0.94  1.0
  Sn  Sn18  1  0.61  0.64  0.45  1.0
  Sn  Sn19  1  0.61  0.64  0.18  1.0
  Sn  Sn20  1  0.82  0.93  0.3  1.0
  Sn  Sn21  1  0.82  0.93  0.58  1.0
  Sn  Sn22  1  0.22  0.71  0.3  1.0
  Sn  Sn23  1  0.22  0.71  0.58  1.0
  Pd  Pd0  1  0.0  0.0  0.82  1.0
  Pd  Pd1  1  0.0  0.0  0.94  1.0
  Pd  Pd2  1  0.0  0.71  0.32  1.0
  Pd  Pd3  1  0.0  0.71  0.55  1.0
  Pd  Pd4  1  0.22  0.86  0.43  1.0
  Pd  Pd5  1  0.22  0.86  0.2  1.0

data_Sn3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   15.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Pd
_chemical_formula_sum   'Sn18 Pd6'
_cell_volume   564.83
_cell_formula_units_Z   6
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
  Sn  Sn0  1  0.0  0.5  0.94  1.0
  Sn  Sn1  1  0.0  0.86  0.18  1.0
  Sn  Sn2  1  0.0  0.86  0.45  1.0
  Sn  Sn3  1  0.22  0.07  0.82  1.0
  Sn  Sn4  1  0.22  0.71  0.3  1.0
  Sn  Sn5  1  0.22  0.71  0.58  1.0
  Sn  Sn6  1  0.39  0.64  0.18  1.0
  Sn  Sn7  1  0.39  0.64  0.45  1.0
  Sn  Sn8  1  0.45  0.82  0.94  1.0
  Sn  Sn9  1  0.55  0.82  0.94  1.0
  Sn  Sn10  1  0.61  0.64  0.18  1.0
  Sn  Sn11  1  0.61  0.64  0.45  1.0
  Sn  Sn12  1  0.61  0.93  0.3  1.0
  Sn  Sn13  1  0.61  0.93  0.58  1.0
  Sn  Sn14  1  0.67  0.75  0.82  1.0
  Sn  Sn15  1  0.76  0.75  0.82  1.0
  Sn  Sn16  1  0.82  0.93  0.3  1.0
  Sn  Sn17  1  0.82  0.93  0.58  1.0
  Pd  Pd18  1  0.0  0.0  0.82  1.0
  Pd  Pd19  1  0.0  0.0  0.94  1.0
  Pd  Pd20  1  0.0  0.71  0.32  1.0
  Pd  Pd21  1  0.0  0.71  0.55  1.0
  Pd  Pd22  1  0.22  0.86  0.2  1.0
  Pd  Pd23  1  0.22  0.86  0.43  1.0

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