data_MnGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe3
_chemical_formula_sum   'Mn1 Ge3'
_cell_volume   66.5
_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  Mn3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.88  0.0  0.15  1.0
  Ge  Ge1  1  0.0  0.0  0.92  1.0
  Ge  Ge2  1  0.88  0.0  0.69  1.0

data_MnGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe3
_chemical_formula_sum   'Mn1 Ge3'
_cell_volume   66.5
_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  Mn0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.92  1.0
  Ge  Ge2  1  0.88  0.0  0.15  1.0
  Ge  Ge3  1  0.88  0.0  0.69  1.0

Mn Ge Ge Ge
Mn Ge Ge Ge 0 2 o o - 0 1 - o o 2 3 - o o 
MnGe3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MnGe3 cluster. Mn(1) is bonded in a distorted linear geometry to one Ge(1) and one Ge(2) atom. The Mn(1)-Ge(1) bond length is 1.19 Å. The Mn(1)-Ge(2) bond length is 0.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a single-bond geometry to one Mn(1) atom. In the second Ge site, Ge(2) is bonded in a single-bond geometry to one Mn(1) and one Ge(3) atom. The Ge(2)-Ge(3) bond length is 1.82 Å. In the third Ge site, Ge(3) is bonded in a distorted single-bond geometry to one Ge(2) atom.