data_Sn4Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn4Pd3
_chemical_formula_sum   'Sn4 Pd3'
_cell_volume   146.68
_cell_formula_units_Z   1
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  Sn3  1  0.0  0.0  0.11  1.0
  Sn  Sn4  1  0.0  0.0  0.4  1.0
  Sn  Sn5  1  0.0  0.2  0.0  1.0
  Sn  Sn6  1  0.77  0.6  0.0  1.0
  Pd  Pd0  1  0.39  0.4  0.76  1.0
  Pd  Pd1  1  0.77  0.0  0.76  1.0
  Pd  Pd2  1  0.61  0.4  0.76  1.0

data_Sn4Pd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.51
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn4Pd3
_chemical_formula_sum   'Sn4 Pd3'
_cell_volume   146.68
_cell_formula_units_Z   1
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  0.2  1.0
  Sn  Sn1  1  0.0  0.77  0.6  1.0
  Sn  Sn2  1  0.11  0.0  0.0  1.0
  Sn  Sn3  1  0.4  0.0  0.0  1.0
  Pd  Pd4  1  0.76  0.39  0.4  1.0
  Pd  Pd5  1  0.76  0.61  0.4  1.0
  Pd  Pd6  1  0.76  0.77  0.0  1.0

Sn Sn Sn Sn Pd Pd Pd
Sn Sn Sn Sn Pd Pd Pd 0 2 o o o 0 1 o o o 0 3 - - o 2 5 - o - 3 6 o o - 4 6 o o o 