data_Sc3Mn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.98
_cell_length_b   10.98
_cell_length_c   10.98
_cell_angle_alpha   16.51
_cell_angle_beta   16.51
_cell_angle_gamma   16.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Mn2
_chemical_formula_sum   'Sc3 Mn2'
_cell_volume   93.24
_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  Sc2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.0  0.0  0.75  1.0
  Sc  Sc4  1  0.0  0.0  0.73  1.0
  Mn  Mn0  1  0.0  0.0  0.88  1.0
  Mn  Mn1  1  0.0  0.0  0.6  1.0

data_Sc3Mn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   3.15
_cell_length_c   10.98
_cell_angle_alpha   90.0
_cell_angle_beta   99.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc3Mn2
_chemical_formula_sum   'Sc6 Mn4'
_cell_volume   186.49
_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
  Sc  Sc1  2  0.0  0.0  0.25  1.0
  Sc  Sc2  2  0.0  0.0  0.27  1.0
  Mn  Mn3  2  0.0  0.0  0.12  1.0
  Mn  Mn4  2  0.0  0.0  0.4  1.0

Sc Sc Sc Mn Mn
Sc3Mn2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sc3Mn2 clusters. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Mn(1) atom. The Sc(1)-Mn(1) bond length is 1.29 Å. In the second Sc site, Sc(2) is bonded in a linear geometry to one Sc(3) and one Mn(1) atom. The Sc(2)-Sc(3) bond length is 0.29 Å. The Sc(2)-Mn(1) bond length is 1.40 Å. In the third Sc site, Sc(3) is bonded in a linear geometry to one Sc(2) and one Mn(2) atom. The Sc(3)-Mn(2) bond length is 1.40 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a linear geometry to one Sc(1) and one Sc(2) atom. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Sc(3) atom.