data_Sc2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   7.17
_cell_angle_alpha   109.49
_cell_angle_beta   109.49
_cell_angle_gamma   30.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Mn
_chemical_formula_sum   'Sc4 Mn2'
_cell_volume   121.09
_cell_formula_units_Z   2
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  Sc2  1  0.18  0.0  0.84  1.0
  Sc  Sc3  1  0.74  0.0  0.89  1.0
  Sc  Sc4  1  0.71  0.0  0.98  1.0
  Sc  Sc5  1  0.21  0.0  0.75  1.0
  Mn  Mn0  1  0.6  0.0  0.57  1.0
  Mn  Mn1  1  0.33  0.0  0.16  1.0

data_Sc2Mn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.16
_cell_length_b   5.92
_cell_length_c   7.17
_cell_angle_alpha   109.49
_cell_angle_beta   90.0
_cell_angle_gamma   105.47
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sc2Mn
_chemical_formula_sum   'Sc4 Mn2'
_cell_volume   121.09
_cell_formula_units_Z   2
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
  Sc  Sc0  2  0.0  0.22  0.97  1.0
  Sc  Sc1  2  0.0  0.25  0.88  1.0
  Mn  Mn2  2  0.0  0.36  0.3  1.0

Sc Sc Sc Sc Mn Mn
Sc2Mn crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Sc2Mn clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted bent 150 degrees geometry to one Sc(2) and one Mn(1) atom. The Sc(1)-Sc(2) bond length is 0.71 Å. The Sc(1)-Mn(1) bond length is 2.18 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Sc(1) atom. Mn(1) is bonded in a distorted single-bond geometry to one Sc(1) atom.