data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   12.54
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn
_chemical_formula_sum   'Zr8 Sn8'
_cell_volume   374.93
_cell_formula_units_Z   8
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  0.79  1.0
  Zr  Zr1  1  0.0  0.71  0.94  1.0
  Zr  Zr2  1  0.0  0.27  0.73  1.0
  Zr  Zr3  1  0.0  0.84  0.94  1.0
  Zr  Zr4  1  0.66  0.0  0.88  1.0
  Zr  Zr5  1  0.66  0.56  0.67  1.0
  Zr  Zr6  1  0.66  0.27  0.82  1.0
  Zr  Zr7  1  0.66  0.98  0.67  1.0
  Sn  Sn8  1  0.0  0.54  0.94  1.0
  Sn  Sn9  1  0.0  0.14  0.71  1.0
  Sn  Sn10  1  0.0  0.4  0.71  1.0
  Sn  Sn11  1  0.0  0.01  0.94  1.0
  Sn  Sn12  1  0.66  0.13  0.9  1.0
  Sn  Sn13  1  0.66  0.73  0.67  1.0
  Sn  Sn14  1  0.66  0.81  0.67  1.0
  Sn  Sn15  1  0.66  0.41  0.9  1.0

data_ZrSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.33
_cell_length_b   5.61
_cell_length_c   12.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn
_chemical_formula_sum   'Zr8 Sn8'
_cell_volume   374.93
_cell_formula_units_Z   8
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  0.21  0.0  1.0
  Zr  Zr1  1  0.0  0.06  0.16  1.0
  Zr  Zr2  1  0.0  0.27  0.73  1.0
  Zr  Zr3  1  0.0  0.06  0.29  1.0
  Zr  Zr4  1  0.34  0.12  0.0  1.0
  Zr  Zr5  1  0.34  0.18  0.73  1.0
  Zr  Zr6  1  0.34  0.33  0.02  1.0
  Zr  Zr7  1  0.34  0.33  0.44  1.0
  Sn  Sn8  1  0.0  0.29  0.6  1.0
  Sn  Sn9  1  0.0  0.29  0.86  1.0
  Sn  Sn10  1  0.0  0.06  0.46  1.0
  Sn  Sn11  1  0.0  0.06  0.99  1.0
  Sn  Sn12  1  0.34  0.1  0.59  1.0
  Sn  Sn13  1  0.34  0.1  0.87  1.0
  Sn  Sn14  1  0.34  0.33  0.19  1.0
  Sn  Sn15  1  0.34  0.33  0.27  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Sn Sn Sn Sn Sn Sn Sn Sn
Zr Zr Zr Zr Zr Zr Zr Zr Sn Sn Sn Sn Sn Sn Sn Sn 0 11 o o o 0 9 o o o 1 3 o o o 1 8 o o o 2 6 - o o 2 9 o o o 2 10 o o o 4 7 o - o 4 12 o o o 5 8 + o o 5 15 o o o 5 13 o o o 6 12 o o o 6 15 o o o 8 15 - o o 8 10 o o o 10 15 - o o 13 14 o o o 