data_ZrMnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   138.12
_cell_angle_beta   132.61
_cell_angle_gamma   65.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnPd2
_chemical_formula_sum   'Zr1 Mn1 Pd2'
_cell_volume   65.89
_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  Zr3  1  0.84  0.0  0.01  1.0
  Mn  Mn0  1  0.0  0.0  0.2  1.0
  Pd  Pd1  1  0.84  0.0  0.28  1.0
  Pd  Pd2  1  0.0  0.0  0.51  1.0

data_ZrMnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.13
_cell_length_c   5.14
_cell_angle_alpha   113.69
_cell_angle_beta   110.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnPd2
_chemical_formula_sum   'Zr1 Mn1 Pd2'
_cell_volume   65.89
_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  Zr0  1  0.0  0.01  0.17  1.0
  Mn  Mn1  1  0.0  0.2  0.2  1.0
  Pd  Pd2  1  0.0  0.28  0.45  1.0
  Pd  Pd3  1  0.0  0.51  0.51  1.0

Zr Mn Pd Pd
ZrMnPd2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrMnPd2 cluster. Zr(1) is bonded in a distorted single-bond geometry to one Mn(1) and one Pd(1) atom. The Zr(1)-Mn(1) bond length is 0.72 Å. The Zr(1)-Pd(1) bond length is 1.40 Å. Mn(1) is bonded in an L-shaped geometry to one Zr(1) and one Pd(1) atom. The Mn(1)-Pd(1) bond length is 1.19 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one Zr(1), one Mn(1), and one Pd(2) atom. The Pd(1)-Pd(2) bond length is 0.87 Å. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to one Pd(1) atom.