data_Sc2MnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnGe
_chemical_formula_sum   'Sc2 Mn1 Ge1'
_cell_volume   68.23
_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  0.66  0.66  0.44  1.0
  Sc  Sc3  1  0.66  0.66  0.75  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.09  1.0

data_Sc2MnGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2MnGe
_chemical_formula_sum   'Sc4 Mn2 Ge2'
_cell_volume   136.46
_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  0.16  0.5  0.44  1.0
  Sc  Sc1  2  0.16  0.5  0.75  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0
  Ge  Ge3  2  0.0  0.0  0.09  1.0

Sc Sc Mn Ge
Sc2MnGe crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Sc(2) and three equivalent Ge(1) atoms. The Sc(1)-Sc(2) bond length is 1.91 Å. There is one shorter (2.67 Å) and two longer (3.26 Å) Sc(1)-Ge(1) bond lengths. In the second Sc site, Sc(2) is bonded in a 4-coordinate geometry to one Sc(1) and three equivalent Mn(1) atoms. There is one shorter (2.23 Å) and two longer (2.91 Å) Sc(2)-Mn(1) bond lengths. Mn(1) is bonded in a single-bond geometry to three equivalent Sc(2) and one Ge(1) atom. The Mn(1)-Ge(1) bond length is 0.58 Å. Ge(1) is bonded in a single-bond geometry to three equivalent Sc(1) and one Mn(1) atom.