data_SnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd2
_chemical_formula_sum   'Sn2 Pd4'
_cell_volume   103.23
_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  Sn4  1  0.0  0.63  0.29  1.0
  Sn  Sn5  1  0.28  0.32  0.43  1.0
  Pd  Pd0  1  0.0  0.0  0.86  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.63  0.43  1.0
  Pd  Pd3  1  0.28  0.32  0.29  1.0

data_SnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd2
_chemical_formula_sum   'Sn2 Pd4'
_cell_volume   103.23
_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  Sn0  1  0.0  0.63  0.29  1.0
  Sn  Sn1  1  0.28  0.32  0.43  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.86  1.0
  Pd  Pd4  1  0.0  0.63  0.43  1.0
  Pd  Pd5  1  0.28  0.32  0.29  1.0

Sn Sn Pd Pd Pd Pd
Sn Sn Pd Pd Pd Pd 0 4 o o o 1 5 o o o 2 3 o o + 