data_MnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   2.85
_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   'Mn2 Ge4'
_cell_volume   105.46
_cell_formula_units_Z   2
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  Mn4  1  0.04  0.04  0.43  1.0
  Mn  Mn5  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.72  0.36  0.43  1.0
  Ge  Ge1  1  0.36  0.72  0.43  1.0
  Ge  Ge2  1  0.68  0.68  0.0  1.0
  Ge  Ge3  1  0.4  0.4  0.0  1.0

data_MnGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGe2
_chemical_formula_sum   'Mn4 Ge8'
_cell_volume   210.92
_cell_formula_units_Z   4
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
  Mn  Mn1  2  0.04  0.0  0.43  1.0
  Ge  Ge2  4  0.04  0.32  0.43  1.0
  Ge  Ge3  2  0.18  0.5  0.0  1.0
  Ge  Ge4  2  0.4  0.0  0.0  1.0

Mn Mn Ge Ge Ge Ge
MnGe2 crystallizes in the monoclinic Cm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Mn(2), one Ge(3), and two equivalent Ge(1) atoms. There is one shorter (1.26 Å) and one longer (1.68 Å) Mn(1)-Mn(2) bond length. The Mn(1)-Ge(3) bond length is 3.34 Å. Both Mn(1)-Ge(1) bond lengths are 2.76 Å. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1), one Ge(2), and four equivalent Ge(1) atoms. The Mn(2)-Ge(2) bond length is 2.76 Å. There are two shorter (3.04 Å) and two longer (3.23 Å) Mn(2)-Ge(1) bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. Both Ge(1)-Ge(1) bond lengths are 2.85 Å. There is one shorter (2.29 Å) and one longer (2.54 Å) Ge(1)-Ge(2) bond length. There is one shorter (2.29 Å) and one longer (2.54 Å) Ge(1)-Ge(3) bond length. In the second Ge site, Ge(2) is bonded in a 1-coordinate geometry to one Mn(2), one Ge(3), and four equivalent Ge(1) atoms. The Ge(2)-Ge(3) bond length is 2.37 Å. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Mn(1), one Ge(2), two equivalent Ge(3), and four equivalent Ge(1) atoms. Both Ge(3)-Ge(3) bond lengths are 2.85 Å.