data_Mn4Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4Ge5
_chemical_formula_sum   'Mn8 Ge10'
_cell_volume   275.16
_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  Mn10  1  0.0  0.0  0.55  1.0
  Mn  Mn11  1  0.0  0.0  0.0  1.0
  Mn  Mn12  1  0.57  0.72  0.83  1.0
  Mn  Mn13  1  0.75  0.0  0.83  1.0
  Mn  Mn14  1  0.62  0.12  0.83  1.0
  Mn  Mn15  1  0.38  0.12  0.28  1.0
  Mn  Mn16  1  0.14  0.0  0.28  1.0
  Mn  Mn17  1  0.43  0.72  0.28  1.0
  Ge  Ge0  1  0.85  0.94  0.83  1.0
  Ge  Ge1  1  0.19  0.0  0.83  1.0
  Ge  Ge2  1  0.91  0.89  0.83  1.0
  Ge  Ge3  1  0.09  0.89  0.28  1.0
  Ge  Ge4  1  0.71  0.0  0.28  1.0
  Ge  Ge5  1  0.15  0.94  0.28  1.0
  Ge  Ge6  1  0.0  0.56  0.55  1.0
  Ge  Ge7  1  0.95  0.28  0.0  1.0
  Ge  Ge8  1  0.95  0.28  0.55  1.0
  Ge  Ge9  1  0.0  0.56  0.0  1.0

data_Mn4Ge5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.1
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4Ge5
_chemical_formula_sum   'Mn8 Ge10'
_cell_volume   275.16
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.28  0.14  0.0  1.0
  Mn  Mn2  1  0.28  0.38  0.12  1.0
  Mn  Mn3  1  0.28  0.43  0.72  1.0
  Mn  Mn4  1  0.55  0.0  0.0  1.0
  Mn  Mn5  1  0.83  0.57  0.72  1.0
  Mn  Mn6  1  0.83  0.62  0.12  1.0
  Mn  Mn7  1  0.83  0.75  0.0  1.0
  Ge  Ge8  1  -0.0  0.95  0.28  1.0
  Ge  Ge9  1  -0.0  0.0  0.56  1.0
  Ge  Ge10  1  0.28  0.09  0.89  1.0
  Ge  Ge11  1  0.28  0.15  0.94  1.0
  Ge  Ge12  1  0.28  0.71  0.0  1.0
  Ge  Ge13  1  0.55  0.0  0.56  1.0
  Ge  Ge14  1  0.55  0.95  0.28  1.0
  Ge  Ge15  1  0.83  0.19  0.0  1.0
  Ge  Ge16  1  0.83  0.85  0.94  1.0
  Ge  Ge17  1  0.83  0.91  0.89  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge
Mn4Ge5 crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one Mn(7), one Ge(1), one Ge(2), one Ge(3), one Ge(4), one Ge(5), and one Ge(9) atom. The Mn(1)-Mn(7) bond length is 1.78 Å. The Mn(1)-Ge(1) bond length is 1.73 Å. The Mn(1)-Ge(2) bond length is 2.03 Å. The Mn(1)-Ge(3) bond length is 1.62 Å. The Mn(1)-Ge(4) bond length is 1.96 Å. The Mn(1)-Ge(5) bond length is 2.71 Å. The Mn(1)-Ge(9) bond length is 2.44 Å. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to one Ge(1), one Ge(2), one Ge(3), and one Ge(8) atom. The Mn(2)-Ge(1) bond length is 1.34 Å. The Mn(2)-Ge(2) bond length is 1.71 Å. The Mn(2)-Ge(3) bond length is 1.19 Å. The Mn(2)-Ge(8) bond length is 2.44 Å. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one Mn(4), two equivalent Mn(8), one Ge(1), and one Ge(3) atom. The Mn(3)-Mn(4) bond length is 1.96 Å. There is one shorter (2.53 Å) and one longer (3.01 Å) Mn(3)-Mn(8) bond length. The Mn(3)-Ge(1) bond length is 2.05 Å. The Mn(3)-Ge(3) bond length is 2.32 Å. In the fourth Mn site, Mn(4) is bonded in a single-bond geometry to one Mn(3), one Mn(5), one Ge(1), one Ge(5), one Ge(8), and one Ge(9) atom. The Mn(4)-Mn(5) bond length is 1.69 Å. The Mn(4)-Ge(1) bond length is 1.09 Å. The Mn(4)-Ge(5) bond length is 2.32 Å. The Mn(4)-Ge(8) bond length is 2.14 Å. The Mn(4)-Ge(9) bond length is 2.40 Å. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one Mn(4), one Ge(2), one Ge(5), one Ge(8), and one Ge(9) atom. The Mn(5)-Ge(2) bond length is 3.10 Å. The Mn(5)-Ge(5) bond length is 2.67 Å. The Mn(5)-Ge(8) bond length is 2.37 Å. The Mn(5)-Ge(9) bond length is 2.61 Å. In the sixth Mn site, Mn(6) is bonded in a distorted single-bond geometry to one Ge(6) atom. The Mn(6)-Ge(6) bond length is 1.64 Å. In the seventh Mn site, Mn(7) is bonded in a single-bond geometry to one Mn(1), one Ge(4), and one Ge(6) atom. The Mn(7)-Ge(4) bond length is 0.74 Å. The Mn(7)-Ge(6) bond length is 0.51 Å. In the eighth Mn site, Mn(8) is bonded in a distorted single-bond geometry to two equivalent Mn(3), one Ge(10), one Ge(5), and one Ge(7) atom. The Mn(8)-Ge(10) bond length is 3.29 Å. The Mn(8)-Ge(5) bond length is 2.20 Å. The Mn(8)-Ge(7) bond length is 3.29 Å. There are ten inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), one Mn(4), and one Ge(3) atom. The Ge(1)-Ge(3) bond length is 0.71 Å. In the second Ge site, Ge(2) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the third Ge site, Ge(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one Ge(1) atom. In the fourth Ge site, Ge(4) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(7), one Ge(10), one Ge(6), and one Ge(7) atom. The Ge(4)-Ge(10) bond length is 2.76 Å. The Ge(4)-Ge(6) bond length is 0.41 Å. The Ge(4)-Ge(7) bond length is 2.76 Å. In the fifth Ge site, Ge(5) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(4), one Mn(5), one Mn(8), one Ge(8), and one Ge(9) atom. The Ge(5)-Ge(8) bond length is 2.49 Å. The Ge(5)-Ge(9) bond length is 2.49 Å. In the sixth Ge site, Ge(6) is bonded in a single-bond geometry to one Mn(6), one Mn(7), and one Ge(4) atom. In the seventh Ge site, Ge(7) is bonded in a 5-coordinate geometry to one Mn(8), one Ge(4), one Ge(9), and two equivalent Ge(10) atoms. The Ge(7)-Ge(9) bond length is 2.01 Å. There is one shorter (2.29 Å) and one longer (2.81 Å) Ge(7)-Ge(10) bond length. In the eighth Ge site, Ge(8) is bonded in a 7-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), one Ge(10), one Ge(5), and two equivalent Ge(9) atoms. The Ge(8)-Ge(10) bond length is 2.01 Å. There is one shorter (2.29 Å) and one longer (2.81 Å) Ge(8)-Ge(9) bond length. In the ninth Ge site, Ge(9) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(4), one Mn(5), one Ge(5), one Ge(7), and two equivalent Ge(8) atoms. In the tenth Ge site, Ge(10) is bonded in a 5-coordinate geometry to one Mn(8), one Ge(4), one Ge(8), and two equivalent Ge(7) atoms.