data_ZnIn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2Pd
_chemical_formula_sum   'Zn1 In2 Pd1'
_cell_volume   81.05
_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  0.45  1.0
  In  In0  1  0.19  0.0  0.23  1.0
  In  In1  1  0.0  0.0  0.8  1.0
  Pd  Pd2  1  0.19  0.0  0.91  1.0

data_ZnIn2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnIn2Pd
_chemical_formula_sum   'Zn1 In2 Pd1'
_cell_volume   81.07
_cell_formula_units_Z   1
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  1  0.0  0.0  0.45  1.0
  In  In1  1  0.0  0.0  0.8  1.0
  In  In2  1  0.19  0.0  0.23  1.0
  Pd  Pd3  1  0.19  0.0  0.91  1.0

Zn In In Pd
PdZnIn2 is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one PdZnIn2 cluster. Pd(1) is bonded in a single-bond geometry to one In(1) and one In(2) atom. The Pd(1)-In(1) bond length is 2.64 Å. The Pd(1)-In(2) bond length is 1.09 Å. Zn(1) is bonded in a distorted single-bond geometry to one In(1) atom. The Zn(1)-In(1) bond length is 1.88 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 2-coordinate geometry to one Pd(1) and one Zn(1) atom. In the second In site, In(2) is bonded in a single-bond geometry to one Pd(1) atom.