data_MoPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPd3
_chemical_formula_sum   'Mo1 Pd3'
_cell_volume   61.2
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.05  1.0
  Pd  Pd2  1  0.91  0.0  0.13  1.0
  Pd  Pd3  1  0.91  0.0  0.97  1.0

data_MoPd3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MoPd3
_chemical_formula_sum   'Mo1 Pd3'
_cell_volume   61.25
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.05  1.0
  Pd  Pd2  1  0.91  0.0  0.13  1.0
  Pd  Pd3  1  0.91  0.0  0.97  1.0

Mo Pd Pd Pd
Mo Pd Pd Pd 0 3 - o - 0 1 o o o 1 2 - o o 
MoPd3 crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one MoPd3 cluster. Mo(1) is bonded in a distorted bent 120 degrees geometry to one Pd(1) and one Pd(3) atom. The Mo(1)-Pd(1) bond length is 0.38 Å. The Mo(1)-Pd(3) bond length is 0.36 Å. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Pd(2) atom. The Pd(1)-Pd(2) bond length is 0.68 Å. In the second Pd site, Pd(2) is bonded in a single-bond geometry to one Pd(1) atom. In the third Pd site, Pd(3) is bonded in a single-bond geometry to one Mo(1) atom.