data_Sn5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66
_cell_length_b   9.66
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Pb4
_chemical_formula_sum   'Sn10 Pb8'
_cell_volume   534.4
_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  Sn8  1  0.24  0.62  0.96  1.0
  Sn  Sn9  1  0.17  0.0  0.96  1.0
  Sn  Sn10  1  0.41  0.75  0.96  1.0
  Sn  Sn11  1  0.59  0.75  0.65  1.0
  Sn  Sn12  1  0.48  0.0  0.65  1.0
  Sn  Sn13  1  0.76  0.62  0.65  1.0
  Sn  Sn14  1  0.0  0.57  0.31  1.0
  Sn  Sn15  1  0.83  0.79  0.0  1.0
  Sn  Sn16  1  0.83  0.79  0.31  1.0
  Sn  Sn17  1  0.0  0.57  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.31  1.0
  Pb  Pb1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.65  0.86  0.96  1.0
  Pb  Pb3  1  0.35  0.0  0.96  1.0
  Pb  Pb4  1  0.83  0.5  0.96  1.0
  Pb  Pb5  1  0.17  0.5  0.65  1.0
  Pb  Pb6  1  0.31  0.0  0.65  1.0
  Pb  Pb7  1  0.35  0.86  0.65  1.0

data_Sn5Pb4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.62
_cell_length_b   9.66
_cell_length_c   9.66
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Pb4
_chemical_formula_sum   'Sn10 Pb8'
_cell_volume   534.4
_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  0.83  0.79  1.0
  Sn  Sn1  1  0.0  0.0  0.57  1.0
  Sn  Sn2  1  0.31  0.0  0.57  1.0
  Sn  Sn3  1  0.31  0.83  0.79  1.0
  Sn  Sn4  1  0.65  0.48  0.0  1.0
  Sn  Sn5  1  0.65  0.59  0.75  1.0
  Sn  Sn6  1  0.65  0.76  0.62  1.0
  Sn  Sn7  1  0.96  0.17  0.0  1.0
  Sn  Sn8  1  0.96  0.24  0.62  1.0
  Sn  Sn9  1  0.96  0.41  0.75  1.0
  Pb  Pb10  1  0.0  0.0  0.0  1.0
  Pb  Pb11  1  0.31  0.0  0.0  1.0
  Pb  Pb12  1  0.65  0.17  0.5  1.0
  Pb  Pb13  1  0.65  0.31  0.0  1.0
  Pb  Pb14  1  0.65  0.35  0.86  1.0
  Pb  Pb15  1  0.96  0.35  0.0  1.0
  Pb  Pb16  1  0.96  0.65  0.86  1.0
  Pb  Pb17  1  0.96  0.83  0.5  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Pb Pb Pb Pb Pb Pb Pb Pb