data_SnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   5.19
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd
_chemical_formula_sum   'Sn2 Pd2'
_cell_volume   77.83
_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
  Sn  Sn2  1  0.62  0.0  0.64  1.0
  Sn  Sn3  1  0.0  0.6  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.95  1.0
  Pd  Pd1  1  0.62  0.6  0.69  1.0

data_SnPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.23
_cell_length_b   4.64
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnPd
_chemical_formula_sum   'Sn2 Pd2'
_cell_volume   77.83
_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
  Sn  Sn0  2  0.19  0.18  0.8  1.0
  Pd  Pd1  2  0.19  0.13  0.2  1.0

Sn Sn Pd Pd