data_Sc2MnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   129.58
_cell_angle_beta   129.58
_cell_angle_gamma   74.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnSi
_chemical_formula_sum   'Sc2 Mn1 Si1'
_cell_volume   69.33
_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  Sc1  1  0.1  0.0  0.97  1.0
  Sc  Sc2  1  0.0  0.1  0.97  1.0
  Mn  Mn0  1  0.0  0.0  0.93  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Sc2MnSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   127.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2MnSi
_chemical_formula_sum   'Sc4 Mn2 Si2'
_cell_volume   138.65
_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  4  0.45  0.45  0.87  1.0
  Mn  Mn1  2  0.0  0.0  0.93  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0

Sc Sc Mn Si
Sc2MnSi is Ammonia-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sc2MnSi clusters. Sc(1) is bonded in a single-bond geometry to one Mn(1) atom. The Sc(1)-Mn(1) bond length is 0.40 Å. Mn(1) is bonded in a trigonal non-coplanar geometry to two equivalent Sc(1) and one Si(1) atom. The Mn(1)-Si(1) bond length is 0.33 Å. Si(1) is bonded in a single-bond geometry to one Mn(1) atom.