data_Mn2OsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   8.6
_cell_angle_alpha   18.68
_cell_angle_beta   18.68
_cell_angle_gamma   18.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2OsPd
_chemical_formula_sum   'Mn2 Os1 Pd1'
_cell_volume   56.98
_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  0.0  0.0  0.29  1.0
  Mn  Mn1  1  0.0  0.0  0.05  1.0
  Os  Os2  1  0.0  0.0  0.67  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Mn2OsPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   100.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2OsPd
_chemical_formula_sum   'Mn4 Os2 Pd2'
_cell_volume   113.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.71  1.0
  Mn  Mn1  2  0.0  0.0  0.95  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0
  Os  Os3  2  0.0  0.0  0.33  1.0

Mn Mn Os Pd
Mn2OsPd crystallizes in the monoclinic Cm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to one Mn(2), six equivalent Mn(1), and one Os(1) atom. The Mn(1)-Mn(2) bond length is 2.05 Å. All Mn(1)-Mn(1) bond lengths are 2.79 Å. The Mn(1)-Os(1) bond length is 3.27 Å. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Mn(1) and one Pd(1) atom. The Mn(2)-Pd(1) bond length is 0.43 Å. Os(1) is bonded to one Mn(1), six equivalent Os(1), and one Pd(1) atom to form a mixture of distorted corner and edge-sharing OsMnOs6Pd hexagonal bipyramids. All Os(1)-Os(1) bond lengths are 2.79 Å. The Os(1)-Pd(1) bond length is 2.85 Å. Pd(1) is bonded in a single-bond geometry to one Mn(2) and one Os(1) atom.