data_ZnSnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnIr2
_chemical_formula_sum   'Zn1 Sn1 Ir2'
_cell_volume   63.21
_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  0.0  1.0
  Sn  Sn2  1  0.01  0.0  0.0  1.0
  Ir  Ir0  1  0.51  0.72  0.52  1.0
  Ir  Ir1  1  0.51  0.28  0.52  1.0

data_ZnSnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   97.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnIr2
_chemical_formula_sum   'Zn1 Sn1 Ir2'
_cell_volume   63.21
_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  Zn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.01  0.0  1.0
  Ir  Ir2  1  0.52  0.51  0.28  1.0
  Ir  Ir3  1  0.52  0.51  0.72  1.0

Zn Sn Ir Ir
Ir2ZnSn crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Zn(1), and two equivalent Sn(1) atoms. Both Ir(1)-Ir(1) bond lengths are 3.05 Å. There is one shorter (2.02 Å) and one longer (2.56 Å) Ir(1)-Ir(2) bond length. There is one shorter (2.84 Å) and one longer (2.92 Å) Ir(1)-Zn(1) bond length. There is one shorter (3.10 Å) and one longer (3.17 Å) Ir(1)-Sn(1) bond length. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Zn(1), and two equivalent Sn(1) atoms. Both Ir(2)-Ir(2) bond lengths are 3.05 Å. There is one shorter (3.10 Å) and one longer (3.17 Å) Ir(2)-Zn(1) bond length. There is one shorter (2.84 Å) and one longer (2.92 Å) Ir(2)-Sn(1) bond length. Zn(1) is bonded in a single-bond geometry to two equivalent Ir(1), two equivalent Ir(2), and one Sn(1) atom. The Zn(1)-Sn(1) bond length is 0.06 Å. Sn(1) is bonded in a single-bond geometry to two equivalent Ir(1), two equivalent Ir(2), and one Zn(1) atom.