data_Zr5SnPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5SnPb3
_chemical_formula_sum   'Zr10 Sn2 Pb6'
_cell_volume   422.36
_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
  Zr  Zr0  1  0.0  0.19  0.02  1.0
  Zr  Zr1  1  0.49  0.59  0.02  1.0
  Zr  Zr2  1  0.49  0.59  0.0  1.0
  Zr  Zr3  1  0.0  0.19  0.0  1.0
  Zr  Zr4  1  0.48  0.0  0.51  1.0
  Zr  Zr5  1  0.76  0.61  0.51  1.0
  Zr  Zr6  1  0.25  0.17  0.51  1.0
  Zr  Zr7  1  0.5  0.0  0.53  1.0
  Zr  Zr8  1  0.75  0.17  0.53  1.0
  Zr  Zr9  1  0.24  0.61  0.53  1.0
  Sn  Sn10  1  0.0  0.0  0.02  1.0
  Sn  Sn11  1  0.0  0.0  0.0  1.0
  Pb  Pb12  1  0.47  0.0  0.51  1.0
  Pb  Pb13  1  0.26  0.01  0.51  1.0
  Pb  Pb14  1  0.76  0.78  0.51  1.0
  Pb  Pb15  1  0.52  0.0  0.53  1.0
  Pb  Pb16  1  0.24  0.78  0.53  1.0
  Pb  Pb17  1  0.74  0.01  0.53  1.0

data_Zr5SnPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.04
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5SnPb3
_chemical_formula_sum   'Zr10 Sn2 Pb6'
_cell_volume   422.36
_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
  Zr  Zr0  1  0.0  0.0  0.19  1.0
  Zr  Zr1  1  0.0  0.49  0.59  1.0
  Zr  Zr2  1  0.02  0.0  0.19  1.0
  Zr  Zr3  1  0.02  0.49  0.59  1.0
  Zr  Zr4  1  0.51  0.25  0.17  1.0
  Zr  Zr5  1  0.51  0.48  0.0  1.0
  Zr  Zr6  1  0.51  0.76  0.61  1.0
  Zr  Zr7  1  0.53  0.24  0.61  1.0
  Zr  Zr8  1  0.53  0.5  0.0  1.0
  Zr  Zr9  1  0.53  0.75  0.17  1.0
  Sn  Sn10  1  0.0  0.0  0.0  1.0
  Sn  Sn11  1  0.02  0.0  0.0  1.0
  Pb  Pb12  1  0.51  0.26  0.01  1.0
  Pb  Pb13  1  0.51  0.47  0.0  1.0
  Pb  Pb14  1  0.51  0.76  0.78  1.0
  Pb  Pb15  1  0.53  0.24  0.78  1.0
  Pb  Pb16  1  0.53  0.52  0.0  1.0
  Pb  Pb17  1  0.53  0.74  0.01  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Sn Sn Pb Pb Pb Pb Pb Pb
Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Sn Sn Pb Pb Pb Pb Pb Pb 0 3 o o o 1 2 o o o 4 12 o o o 5 14 o o o 6 13 o o o 7 15 o o o 8 17 o o o 9 16 o o o 10 11 o o o 