data_MnGe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.8
_cell_length_c   3.99
_cell_angle_alpha   70.8
_cell_angle_beta   69.18
_cell_angle_gamma   40.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe2Sb
_chemical_formula_sum   'Mn1 Ge2 Sb1'
_cell_volume   81.35
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.44  0.55  1.0
  Ge  Ge1  1  0.76  0.44  0.55  1.0
  Sb  Sb3  1  0.76  0.89  0.11  1.0

data_MnGe2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   5.52
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   119.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGe2Sb
_chemical_formula_sum   'Mn2 Ge4 Sb2'
_cell_volume   162.7
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.56  1.0
  Ge  Ge2  2  0.24  0.0  0.8  1.0
  Sb  Sb3  2  0.24  0.0  0.35  1.0

Mn Ge Ge Sb
Mn Ge Ge Sb 0 3 - - o 1 2 - o o 
MnGe2Sb crystallizes in the triclinic P1 space group. Mn(1) is bonded in a 2-coordinate geometry to one Ge(1), one Ge(2), and one Sb(1) atom. The Mn(1)-Ge(1) bond length is 2.60 Å. The Mn(1)-Ge(2) bond length is 2.24 Å. The Mn(1)-Sb(1) bond length is 1.84 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 5-coordinate geometry to one Mn(1), one Ge(2), and three equivalent Sb(1) atoms. The Ge(1)-Ge(2) bond length is 1.40 Å. There are a spread of Ge(1)-Sb(1) bond distances ranging from 2.24-3.10 Å. In the second Ge site, Ge(2) is bonded in a 2-coordinate geometry to one Mn(1) and one Ge(1) atom. Sb(1) is bonded in a distorted single-bond geometry to one Mn(1) and three equivalent Ge(1) atoms.