data_Zr5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49
_cell_length_b   8.49
_cell_length_c   8.49
_cell_angle_alpha   96.41
_cell_angle_beta   96.41
_cell_angle_gamma   140.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Sn3
_chemical_formula_sum   'Zr10 Sn6'
_cell_volume   363.66
_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  Zr6  1  0.66  0.0  0.42  1.0
  Zr  Zr7  1  0.0  0.66  0.42  1.0
  Zr  Zr8  1  0.88  0.8  0.0  1.0
  Zr  Zr9  1  0.78  0.86  0.84  1.0
  Zr  Zr10  1  0.88  0.52  0.84  1.0
  Zr  Zr11  1  0.78  0.14  0.0  1.0
  Zr  Zr12  1  0.14  0.54  0.0  1.0
  Zr  Zr13  1  0.52  0.12  0.84  1.0
  Zr  Zr14  1  0.52  0.88  0.0  1.0
  Zr  Zr15  1  0.14  0.78  0.84  1.0
  Sn  Sn0  1  0.0  0.0  0.26  1.0
  Sn  Sn1  1  0.0  0.0  0.42  1.0
  Sn  Sn2  1  0.86  0.8  0.0  1.0
  Sn  Sn3  1  0.8  0.86  0.84  1.0
  Sn  Sn4  1  0.52  0.86  0.0  1.0
  Sn  Sn5  1  0.14  0.8  0.84  1.0

data_Zr5Sn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.68
_cell_length_b   8.49
_cell_length_c   8.49
_cell_angle_alpha   83.59
_cell_angle_beta   70.48
_cell_angle_gamma   70.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Sn3
_chemical_formula_sum   'Zr10 Sn6'
_cell_volume   363.66
_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  0.66  0.58  1.0
  Zr  Zr1  1  0.12  0.4  0.16  1.0
  Zr  Zr2  1  0.14  0.63  -0.0  1.0
  Zr  Zr3  1  0.52  0.37  0.16  1.0
  Zr  Zr4  1  0.54  0.6  -0.0  1.0
  Zr  Zr5  1  0.66  0.34  0.58  1.0
  Zr  Zr6  1  0.78  0.37  0.16  1.0
  Zr  Zr7  1  0.8  0.08  -0.0  1.0
  Zr  Zr8  1  0.86  0.92  0.16  1.0
  Zr  Zr9  1  0.88  0.63  -0.0  1.0
  Sn  Sn10  1  0.0  0.0  0.58  1.0
  Sn  Sn11  1  0.0  0.0  0.74  1.0
  Sn  Sn12  1  0.8  0.06  -0.0  1.0
  Sn  Sn13  1  0.8  0.34  0.16  1.0
  Sn  Sn14  1  0.86  0.66  -0.0  1.0
  Sn  Sn15  1  0.86  0.94  0.16  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Sn Sn Sn Sn Sn Sn