data_Zn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Sn
_chemical_formula_sum   'Zn8 Sn4'
_cell_volume   285.78
_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  0.78  0.08  0.8  1.0
  Zn  Zn5  1  0.8  0.51  0.78  1.0
  Zn  Zn6  1  0.08  0.8  0.78  1.0
  Zn  Zn7  1  0.51  0.78  0.8  1.0
  Zn  Zn8  1  0.8  0.78  0.08  1.0
  Zn  Zn9  1  0.78  0.8  0.51  1.0
  Zn  Zn10  1  0.51  0.51  0.51  1.0
  Zn  Zn11  1  0.08  0.08  0.08  1.0
  Sn  Sn0  1  0.29  0.0  0.29  1.0
  Sn  Sn1  1  0.0  0.29  0.29  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.29  0.29  0.0  1.0

data_Zn2Sn
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.32
_cell_length_b   9.32
_cell_length_c   11.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Zn2Sn
_chemical_formula_sum   'Zn24 Sn12'
_cell_volume   857.34
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.08  0.19  0.7  1.0
  Zn  Zn1  9  0.19  0.1  0.89  1.0
  Zn  Zn2  3  0.0  0.0  0.08  1.0
  Zn  Zn3  3  0.0  0.0  0.51  1.0
  Sn  Sn4  9  0.1  0.9  0.2  1.0
  Sn  Sn5  3  0.0  0.0  0.0  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Sn Sn Sn Sn
Zn2Sn1 crystallizes in the trigonal R3 space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to three equivalent Zn(2) and one Sn(2) atom. There are two shorter (2.64 Å) and one longer (2.86 Å) Zn(1)-Zn(2) bond length. The Zn(1)-Sn(2) bond length is 1.99 Å. In the second Zn site, Zn(2) is bonded in a distorted hexagonal planar geometry to one Zn(3), two equivalent Zn(2), and three equivalent Zn(1) atoms. The Zn(2)-Zn(3) bond length is 2.64 Å. Both Zn(2)-Zn(2) bond lengths are 2.64 Å. In the third Zn site, Zn(3) is bonded in a 3-coordinate geometry to three equivalent Zn(2) atoms. In the fourth Zn site, Zn(4) is bonded in a distorted single-bond geometry to one Sn(2) and three equivalent Sn(1) atoms. The Zn(4)-Sn(2) bond length is 0.87 Å. All Zn(4)-Sn(1) bond lengths are 2.08 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Zn(4) atom. In the second Sn site, Sn(2) is bonded in a distorted single-bond geometry to one Zn(4) and three equivalent Zn(1) atoms.