data_MnGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.56
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe3
_chemical_formula_sum   'Mn2 Ge6'
_cell_volume   138.89
_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  Mn6  1  0.0  0.0  0.91  1.0
  Mn  Mn7  1  0.54  0.78  0.01  1.0
  Ge  Ge0  1  0.54  0.0  0.05  1.0
  Ge  Ge1  1  0.0  0.78  0.87  1.0
  Ge  Ge2  1  0.0  0.19  0.52  1.0
  Ge  Ge3  1  0.0  0.37  0.52  1.0
  Ge  Ge4  1  0.54  0.41  0.4  1.0
  Ge  Ge5  1  0.54  0.15  0.4  1.0

data_MnGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   5.08
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe3
_chemical_formula_sum   'Mn2 Ge6'
_cell_volume   138.89
_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  Mn0  1  0.01  0.54  0.78  1.0
  Mn  Mn1  1  0.91  0.0  0.0  1.0
  Ge  Ge2  1  0.05  0.54  0.0  1.0
  Ge  Ge3  1  0.4  0.54  0.15  1.0
  Ge  Ge4  1  0.4  0.54  0.41  1.0
  Ge  Ge5  1  0.52  -0.0  0.37  1.0
  Ge  Ge6  1  0.52  -0.0  0.19  1.0
  Ge  Ge7  1  0.87  -0.0  0.78  1.0

Mn Mn Ge Ge Ge Ge Ge Ge
MnGe3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two MnGe3 clusters. Mn(1) is bonded in a distorted single-bond geometry to one Ge(2) and one Ge(3) atom. The Mn(1)-Ge(2) bond length is 1.23 Å. The Mn(1)-Ge(3) bond length is 2.19 Å. There are three inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a distorted single-bond geometry to one Mn(1) atom. In the second Ge site, Ge(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Ge(4) atom. The Ge(3)-Ge(4) bond length is 1.00 Å. In the third Ge site, Ge(4) is bonded in a single-bond geometry to one Ge(3) atom.