data_MnBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   133.91
_cell_angle_beta   133.91
_cell_angle_gamma   67.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBPd2
_chemical_formula_sum   'Mn1 B1 Pd2'
_cell_volume   52.27
_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
  Mn  Mn1  1  0.83  0.0  0.95  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.9  1.0
  Pd  Pd3  1  0.0  0.83  0.95  1.0

data_MnBPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   4.68
_cell_angle_alpha   113.05
_cell_angle_beta   113.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBPd2
_chemical_formula_sum   'Mn1 B1 Pd2'
_cell_volume   52.27
_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
  Mn  Mn0  1  0.05  0.0  0.88  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.1  0.0  0.1  1.0
  Pd  Pd3  1  0.88  0.83  0.88  1.0

Mn B Pd Pd
Mn B Pd Pd 0 1 + o + 1 2 o o - 1 3 o - - 
MnPd2B is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MnPd2B cluster. Mn(1) is bonded in a single-bond geometry to one B(1) atom. The Mn(1)-B(1) bond length is 0.64 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one B(1) atom. The Pd(1)-B(1) bond length is 0.49 Å. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to one B(1) atom. The Pd(2)-B(1) bond length is 0.64 Å. B(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Pd(1), and one Pd(2) atom.