data_ScMn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Pd
_chemical_formula_sum   'Sc1 Mn2 Pd1'
_cell_volume   56.88
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.33  0.33  0.15  1.0
  Mn  Mn1  1  0.33  0.33  0.88  1.0
  Pd  Pd2  1  0.0  0.0  0.02  1.0

data_ScMn2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScMn2Pd
_chemical_formula_sum   'Sc2 Mn4 Pd2'
_cell_volume   113.76
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.33  0.0  0.15  1.0
  Mn  Mn2  2  0.33  0.0  0.88  1.0
  Pd  Pd3  2  0.0  0.0  0.02  1.0

Sc Mn Mn Pd
ScMn2Pd crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScMn2Pd clusters. Sc(1) is bonded in a single-bond geometry to one Mn(2) and one Pd(1) atom. The Sc(1)-Mn(2) bond length is 1.58 Å. The Sc(1)-Pd(1) bond length is 0.12 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Pd(1) atom. The Mn(1)-Pd(1) bond length is 1.66 Å. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one Sc(1) atom. Pd(1) is bonded in a single-bond geometry to one Sc(1) and one Mn(1) atom.