data_Zn3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   8.27
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Sn
_chemical_formula_sum   'Zn12 Sn4'
_cell_volume   304.82
_cell_formula_units_Z   4
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
  Zn  Zn4  1  0.63  0.2  0.45  1.0
  Zn  Zn5  1  0.07  0.07  0.3  1.0
  Zn  Zn6  1  0.39  0.2  0.4  1.0
  Zn  Zn7  1  0.84  0.07  0.24  1.0
  Zn  Zn8  1  0.12  0.22  0.68  1.0
  Zn  Zn9  1  0.11  0.05  0.83  1.0
  Zn  Zn10  1  0.36  0.92  0.87  1.0
  Zn  Zn11  1  0.35  0.35  0.02  1.0
  Zn  Zn12  1  0.35  0.05  0.02  1.0
  Zn  Zn13  1  0.36  0.22  0.87  1.0
  Zn  Zn14  1  0.11  0.35  0.83  1.0
  Zn  Zn15  1  0.12  0.92  0.68  1.0
  Sn  Sn0  1  0.2  0.2  0.25  1.0
  Sn  Sn1  1  0.5  0.07  0.4  1.0
  Sn  Sn2  1  0.96  0.2  0.3  1.0
  Sn  Sn3  1  0.27  0.07  0.45  1.0

data_Zn3Sn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.7
_cell_length_b   6.47
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zn3Sn
_chemical_formula_sum   'Zn12 Sn4'
_cell_volume   304.82
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Zn  Zn0  2  0.05  0.16  0.07  1.0
  Zn  Zn1  2  0.1  0.39  0.07  1.0
  Zn  Zn2  2  0.33  0.89  0.08  1.0
  Zn  Zn3  2  0.33  0.89  0.78  1.0
  Zn  Zn4  2  0.48  0.88  0.22  1.0
  Zn  Zn5  2  0.48  0.88  0.92  1.0
  Sn  Sn6  2  0.05  0.27  0.93  1.0
  Sn  Sn7  2  0.1  0.04  0.93  1.0

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