data_Sc2MnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28
_cell_length_b   9.28
_cell_length_c   9.28
_cell_angle_alpha   20.42
_cell_angle_beta   20.42
_cell_angle_gamma   20.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnSb
_chemical_formula_sum   'Sc2 Mn1 Sb1'
_cell_volume   85.03
_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  0.25  1.0
  Sc  Sc3  1  0.0  0.0  0.99  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.62  1.0

data_Sc2MnSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   3.29
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   101.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2MnSb
_chemical_formula_sum   'Sc4 Mn2 Sb2'
_cell_volume   170.07
_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  0.01  1.0
  Sc  Sc1  2  0.0  0.0  0.75  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.38  1.0

Sc Sc Mn Sb
Sc Sc Mn Sb 0 2 o o o 0 1 o o - 0 3 o o o 1 2 o o + 1 3 o o o 2 3 o o - 3 3 o + - 3 3 + - o 3 3 + o - 
Sc2MnSb crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 2-coordinate geometry to one Mn(1) and one Sb(1) atom. The Sc(1)-Mn(1) bond length is 2.31 Å. The Sc(1)-Sb(1) bond length is 3.43 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Mn(1) and one Sb(1) atom. The Sc(2)-Mn(1) bond length is 0.10 Å. The Sc(2)-Sb(1) bond length is 3.43 Å. Mn(1) is bonded in a single-bond geometry to one Sc(1) and one Sc(2) atom. Sb(1) is bonded in a distorted linear geometry to one Sc(1), one Sc(2), and six equivalent Sb(1) atoms. All Sb(1)-Sb(1) bond lengths are 3.29 Å.