data_SnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   11.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd
_chemical_formula_sum   'Sn6 Pd6'
_cell_volume   239.52
_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  0.0  0.0  0.22  1.0
  Sn  Sn7  1  0.0  0.0  0.3  1.0
  Sn  Sn8  1  0.0  0.83  0.83  1.0
  Sn  Sn9  1  0.0  0.83  0.81  1.0
  Sn  Sn10  1  0.45  0.41  0.71  1.0
  Sn  Sn11  1  0.45  0.41  0.69  1.0
  Pd  Pd0  1  0.0  0.0  0.42  1.0
  Pd  Pd1  1  0.0  0.0  0.09  1.0
  Pd  Pd2  1  0.0  0.83  0.98  1.0
  Pd  Pd3  1  0.0  0.83  0.07  1.0
  Pd  Pd4  1  0.45  0.41  0.45  1.0
  Pd  Pd5  1  0.45  0.41  0.54  1.0

data_SnPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   11.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd
_chemical_formula_sum   'Sn6 Pd6'
_cell_volume   239.52
_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  0.0  0.22  1.0
  Sn  Sn1  1  0.0  0.0  0.3  1.0
  Sn  Sn2  1  0.0  0.83  0.81  1.0
  Sn  Sn3  1  0.0  0.83  0.83  1.0
  Sn  Sn4  1  0.45  0.41  0.69  1.0
  Sn  Sn5  1  0.45  0.41  0.71  1.0
  Pd  Pd6  1  0.0  0.0  0.09  1.0
  Pd  Pd7  1  0.0  0.0  0.42  1.0
  Pd  Pd8  1  0.0  0.83  0.07  1.0
  Pd  Pd9  1  0.0  0.83  0.98  1.0
  Pd  Pd10  1  0.45  0.41  0.45  1.0
  Pd  Pd11  1  0.45  0.41  0.54  1.0

Sn Sn Sn Sn Sn Sn Pd Pd Pd Pd Pd Pd