data_Zr2TiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TiPd
_chemical_formula_sum   'Zr2 Ti1 Pd1'
_cell_volume   77.75
_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
  Zr  Zr2  1  0.21  0.0  0.16  1.0
  Zr  Zr3  1  0.0  0.0  0.65  1.0
  Ti  Ti1  1  0.0  0.0  0.15  1.0
  Pd  Pd0  1  0.21  0.0  0.66  1.0

data_Zr2TiPd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zr2TiPd
_chemical_formula_sum   'Zr2 Ti1 Pd1'
_cell_volume   77.77
_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
  Zr  Zr0  1  0.0  0.0  0.65  1.0
  Zr  Zr1  1  0.21  0.0  0.16  1.0
  Ti  Ti2  1  0.0  0.0  0.15  1.0
  Pd  Pd3  1  0.21  0.0  0.66  1.0

Zr Zr Ti Pd
TiZrZrPd is alpha Po structured and crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one TiZr cluster and one ZrPd cluster. In the TiZr cluster, Zr(1) is bonded in a single-bond geometry to one Ti(1) atom. The Zr(1)-Ti(1) bond length is 0.68 Å. Ti(1) is bonded in a single-bond geometry to one Zr(1) atom. In the ZrPd cluster, Zr(2) is bonded in a single-bond geometry to one Pd(1) atom. The Zr(2)-Pd(1) bond length is 0.69 Å. Pd(1) is bonded in a single-bond geometry to one Zr(2) atom.