data_MnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   3.41
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe2
_chemical_formula_sum   'Mn4 Ge8'
_cell_volume   172.51
_cell_formula_units_Z   4
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  Mn8  1  0.6  0.85  0.75  1.0
  Mn  Mn9  1  0.53  0.56  0.71  1.0
  Mn  Mn10  1  0.72  0.85  0.38  1.0
  Mn  Mn11  1  0.65  0.56  0.34  1.0
  Ge  Ge0  1  0.43  0.85  0.85  1.0
  Ge  Ge1  1  0.94  0.56  0.89  1.0
  Ge  Ge2  1  0.31  0.85  0.2  1.0
  Ge  Ge3  1  0.81  0.56  0.24  1.0
  Ge  Ge4  1  0.01  0.85  0.72  1.0
  Ge  Ge5  1  0.35  0.56  0.68  1.0
  Ge  Ge6  1  0.89  0.85  0.41  1.0
  Ge  Ge7  1  0.23  0.56  0.37  1.0

data_MnGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.41
_cell_length_b   6.25
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnGe2
_chemical_formula_sum   'Mn4 Ge8'
_cell_volume   172.51
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Mn0  2  0.15  0.1  0.84  1.0
  Mn  Mn1  2  0.15  0.97  0.21  1.0
  Ge  Ge2  2  0.15  0.27  0.87  1.0
  Ge  Ge3  2  0.15  0.39  0.18  1.0
  Ge  Ge4  2  0.15  0.69  0.65  1.0
  Ge  Ge5  2  0.15  0.81  0.3  1.0

Mn Mn Mn Mn Ge Ge Ge Ge Ge Ge Ge Ge
Mn Mn Mn Mn Ge Ge Ge Ge Ge Ge Ge Ge 0 1 o o o 0 4 o o o 1 9 o o o 2 3 o o o 2 10 o o o 3 7 o o o 5 8 + o o 6 11 o o o 
MnGe2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two MnGe2 clusters. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to one Mn(2), one Ge(1), one Ge(2), and one Ge(3) atom. The Mn(1)-Mn(2) bond length is 1.15 Å. The Mn(1)-Ge(1) bond length is 1.28 Å. The Mn(1)-Ge(2) bond length is 2.60 Å. The Mn(1)-Ge(3) bond length is 2.62 Å. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one Mn(1) and one Ge(4) atom. The Mn(2)-Ge(4) bond length is 1.10 Å. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted single-bond geometry to one Mn(1) atom. In the second Ge site, Ge(2) is bonded in a 2-coordinate geometry to one Mn(1) and one Ge(3) atom. The Ge(2)-Ge(3) bond length is 1.77 Å. In the third Ge site, Ge(3) is bonded in a 2-coordinate geometry to one Mn(1) and one Ge(2) atom. In the fourth Ge site, Ge(4) is bonded in a single-bond geometry to one Mn(2) atom.