data_Zn2Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   6.84
_cell_length_c   9.15
_cell_angle_alpha   51.96
_cell_angle_beta   47.47
_cell_angle_gamma   80.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Sn3
_chemical_formula_sum   'Zn4 Sn6'
_cell_volume   238.85
_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
  Zn  Zn6  1  0.55  0.1  0.62  1.0
  Zn  Zn7  1  0.87  0.35  0.62  1.0
  Zn  Zn8  1  0.45  0.71  0.19  1.0
  Zn  Zn9  1  0.97  0.74  0.19  1.0
  Sn  Sn0  1  0.55  0.17  0.32  1.0
  Sn  Sn1  1  0.87  0.27  0.32  1.0
  Sn  Sn2  1  0.65  0.64  0.75  1.0
  Sn  Sn3  1  0.97  0.53  0.75  1.0
  Sn  Sn4  1  0.21  0.72  0.28  1.0
  Sn  Sn5  1  0.1  0.36  0.98  1.0

data_Zn2Sn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.72
_cell_length_b   6.84
_cell_length_c   7.31
_cell_angle_alpha   80.57
_cell_angle_beta   66.95
_cell_angle_gamma   65.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Sn3
_chemical_formula_sum   'Zn4 Sn6'
_cell_volume   238.85
_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
  Zn  Zn0  1  0.38  0.72  0.18  1.0
  Zn  Zn1  1  0.38  0.97  0.49  1.0
  Zn  Zn2  1  0.81  0.9  0.64  1.0
  Zn  Zn3  1  0.81  0.93  0.17  1.0
  Sn  Sn4  1  0.02  0.35  0.09  1.0
  Sn  Sn5  1  0.25  0.28  0.73  1.0
  Sn  Sn6  1  0.25  0.39  0.4  1.0
  Sn  Sn7  1  0.68  0.49  0.87  1.0
  Sn  Sn8  1  0.68  0.59  0.19  1.0
  Sn  Sn9  1  0.72  1.0  0.48  1.0

Zn Zn Zn Zn Sn Sn Sn Sn Sn Sn
Zn Zn Zn Zn Sn Sn Sn Sn Sn Sn 0 5 o o o 0 4 o o o 0 6 o - o 1 8 + o o 1 3 o o o 1 6 o o o 1 7 o o o 2 8 o o o 3 5 o o o 3 8 + o o 4 7 o o - 4 9 + o - 4 5 o o o 5 9 + o - 6 7 o o o 7 9 + o o 7 8 + o o 
Zn2Sn3 crystallizes in the triclinic P1 space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one Sn(1), one Sn(2), and one Sn(3) atom. The Zn(1)-Sn(1) bond length is 2.51 Å. The Zn(1)-Sn(2) bond length is 1.63 Å. The Zn(1)-Sn(3) bond length is 2.78 Å. In the second Zn site, Zn(2) is bonded in a 1-coordinate geometry to one Sn(3), one Sn(4), and one Sn(5) atom. The Zn(2)-Sn(3) bond length is 2.64 Å. The Zn(2)-Sn(4) bond length is 2.63 Å. The Zn(2)-Sn(5) bond length is 2.05 Å. In the third Zn site, Zn(3) is bonded in a single-bond geometry to one Sn(1), one Sn(4), and one Sn(5) atom. The Zn(3)-Sn(1) bond length is 3.24 Å. The Zn(3)-Sn(4) bond length is 3.06 Å. The Zn(3)-Sn(5) bond length is 1.36 Å. In the fourth Zn site, Zn(4) is bonded in a distorted water-like geometry to one Sn(2) and one Sn(5) atom. The Zn(4)-Sn(2) bond length is 2.63 Å. The Zn(4)-Sn(5) bond length is 2.28 Å. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Zn(1), one Zn(3), one Sn(2), one Sn(4), and one Sn(6) atom. The Sn(1)-Sn(2) bond length is 2.56 Å. The Sn(1)-Sn(4) bond length is 2.77 Å. The Sn(1)-Sn(6) bond length is 2.75 Å. In the second Sn site, Sn(2) is bonded in a distorted single-bond geometry to one Zn(1), one Zn(4), one Sn(1), and one Sn(6) atom. The Sn(2)-Sn(6) bond length is 1.93 Å. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one Sn(4) atom. The Sn(3)-Sn(4) bond length is 2.34 Å. In the fourth Sn site, Sn(4) is bonded in a 6-coordinate geometry to one Zn(2), one Zn(3), one Sn(1), one Sn(3), one Sn(5), and one Sn(6) atom. The Sn(4)-Sn(5) bond length is 2.69 Å. The Sn(4)-Sn(6) bond length is 2.47 Å. In the fifth Sn site, Sn(5) is bonded in a 3-coordinate geometry to one Zn(2), one Zn(3), one Zn(4), and one Sn(4) atom. In the sixth Sn site, Sn(6) is bonded in a 2-coordinate geometry to one Sn(1), one Sn(2), and one Sn(4) atom.