data_ZnCo2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64
_cell_length_b   8.64
_cell_length_c   8.64
_cell_angle_alpha   19.58
_cell_angle_beta   19.58
_cell_angle_gamma   19.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCo2Sn
_chemical_formula_sum   'Zn1 Co2 Sn1'
_cell_volume   63.4
_cell_formula_units_Z   1
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  Zn3  1  0.0  0.0  0.69  1.0
  Co  Co0  1  0.0  0.0  0.14  1.0
  Co  Co1  1  0.0  0.0  0.8  1.0
  Sn  Sn2  1  0.0  0.0  0.52  1.0

data_ZnCo2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   2.94
_cell_length_c   8.64
_cell_angle_alpha   90.0
_cell_angle_beta   101.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCo2Sn
_chemical_formula_sum   'Zn2 Co4 Sn2'
_cell_volume   126.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.31  1.0
  Co  Co1  2  0.0  0.0  0.2  1.0
  Co  Co2  2  0.0  0.0  0.86  1.0
  Sn  Sn3  2  0.0  0.0  0.48  1.0

Zn Co Co Sn
Zn Co Co Sn 0 2 o o o 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o - 1 3 o o o 
Co2ZnSn crystallizes in the monoclinic Cm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one Co(2), six equivalent Co(1), and one Sn(1) atom to form a mixture of corner and edge-sharing CoCo7Sn hexagonal bipyramids. The Co(1)-Co(2) bond length is 2.94 Å. All Co(1)-Co(1) bond lengths are 2.94 Å. The Co(1)-Sn(1) bond length is 3.26 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Co(1) and one Zn(1) atom. The Co(2)-Zn(1) bond length is 0.98 Å. Zn(1) is bonded in a linear geometry to one Co(2) and one Sn(1) atom. The Zn(1)-Sn(1) bond length is 1.47 Å. Sn(1) is bonded in a single-bond geometry to one Co(1) and one Zn(1) atom.