data_Mn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   15.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Ge
_chemical_formula_sum   'Mn16 Ge8'
_cell_volume   300.08
_cell_formula_units_Z   8
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  0.0  0.72  0.78  1.0
  Mn  Mn9  1  0.35  0.36  0.84  1.0
  Mn  Mn10  1  0.35  0.36  0.97  1.0
  Mn  Mn11  1  0.0  0.72  0.65  1.0
  Mn  Mn12  1  0.18  0.04  0.81  1.0
  Mn  Mn13  1  0.35  0.0  0.81  1.0
  Mn  Mn14  1  0.82  0.04  0.81  1.0
  Mn  Mn15  1  0.18  0.04  0.0  1.0
  Mn  Mn16  1  0.35  0.0  0.0  1.0
  Mn  Mn17  1  0.82  0.04  0.0  1.0
  Mn  Mn18  1  0.77  0.43  0.72  1.0
  Mn  Mn19  1  0.0  0.3  0.72  1.0
  Mn  Mn20  1  0.23  0.43  0.72  1.0
  Mn  Mn21  1  0.58  0.65  0.91  1.0
  Mn  Mn22  1  0.35  0.78  0.91  1.0
  Mn  Mn23  1  0.13  0.65  0.91  1.0
  Ge  Ge0  1  0.0  0.0  0.26  1.0
  Ge  Ge1  1  0.0  0.0  0.36  1.0
  Ge  Ge2  1  0.0  0.0  0.45  1.0
  Ge  Ge3  1  0.0  0.0  0.17  1.0
  Ge  Ge4  1  0.0  0.72  0.33  1.0
  Ge  Ge5  1  0.35  0.36  0.29  1.0
  Ge  Ge6  1  0.35  0.36  0.14  1.0
  Ge  Ge7  1  0.0  0.72  0.48  1.0

data_Mn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   15.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Ge
_chemical_formula_sum   'Mn16 Ge8'
_cell_volume   300.08
_cell_formula_units_Z   8
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  0.3  0.72  1.0
  Mn  Mn1  1  0.0  0.72  0.65  1.0
  Mn  Mn2  1  0.0  0.72  0.78  1.0
  Mn  Mn3  1  0.13  0.65  0.91  1.0
  Mn  Mn4  1  0.18  0.04  0.0  1.0
  Mn  Mn5  1  0.18  0.04  0.81  1.0
  Mn  Mn6  1  0.23  0.43  0.72  1.0
  Mn  Mn7  1  0.35  0.0  0.0  1.0
  Mn  Mn8  1  0.35  0.0  0.81  1.0
  Mn  Mn9  1  0.35  0.36  0.84  1.0
  Mn  Mn10  1  0.35  0.36  0.97  1.0
  Mn  Mn11  1  0.35  0.78  0.91  1.0
  Mn  Mn12  1  0.58  0.65  0.91  1.0
  Mn  Mn13  1  0.77  0.43  0.72  1.0
  Mn  Mn14  1  0.82  0.04  0.0  1.0
  Mn  Mn15  1  0.82  0.04  0.81  1.0
  Ge  Ge16  1  0.0  0.0  0.17  1.0
  Ge  Ge17  1  0.0  0.0  0.26  1.0
  Ge  Ge18  1  0.0  0.0  0.36  1.0
  Ge  Ge19  1  0.0  0.0  0.45  1.0
  Ge  Ge20  1  0.0  0.72  0.33  1.0
  Ge  Ge21  1  0.0  0.72  0.48  1.0
  Ge  Ge22  1  0.35  0.36  0.14  1.0
  Ge  Ge23  1  0.35  0.36  0.29  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Ge Ge Ge Ge Ge Ge Ge Ge
Mn2Ge crystallizes in the triclinic P1 space group. There are sixteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to one Mn(11) and one Mn(5) atom. The Mn(1)-Mn(11) bond length is 1.65 Å. The Mn(1)-Mn(5) bond length is 1.37 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Mn(14) and one Mn(5) atom. The Mn(2)-Mn(14) bond length is 1.65 Å. The Mn(2)-Mn(5) bond length is 1.37 Å. In the third Mn site, Mn(3) is bonded in a 2-coordinate geometry to one Mn(14), one Mn(8), and one Ge(7) atom. The Mn(3)-Mn(14) bond length is 1.65 Å. The Mn(3)-Mn(8) bond length is 1.37 Å. The Mn(3)-Ge(7) bond length is 2.66 Å. In the fourth Mn site, Mn(4) is bonded in a 2-coordinate geometry to one Mn(11) and one Ge(8) atom. The Mn(4)-Mn(11) bond length is 1.65 Å. The Mn(4)-Ge(8) bond length is 2.66 Å. In the fifth Mn site, Mn(5) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(6), and one Mn(7) atom. The Mn(5)-Mn(6) bond length is 0.94 Å. The Mn(5)-Mn(7) bond length is 1.67 Å. In the sixth Mn site, Mn(6) is bonded in a distorted single-bond geometry to one Mn(5) and one Mn(7) atom. The Mn(6)-Mn(7) bond length is 2.12 Å. In the seventh Mn site, Mn(7) is bonded in a 4-coordinate geometry to one Mn(12), one Mn(14), one Mn(5), and one Mn(6) atom. The Mn(7)-Mn(12) bond length is 1.84 Å. The Mn(7)-Mn(14) bond length is 2.18 Å. In the eighth Mn site, Mn(8) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(3), one Mn(9), and one Ge(7) atom. The Mn(8)-Mn(10) bond length is 1.67 Å. The Mn(8)-Mn(9) bond length is 0.94 Å. The Mn(8)-Ge(7) bond length is 2.61 Å. In the ninth Mn site, Mn(9) is bonded in a distorted single-bond geometry to one Mn(10) and one Mn(8) atom. The Mn(9)-Mn(10) bond length is 2.12 Å. In the tenth Mn site, Mn(10) is bonded in a 4-coordinate geometry to one Mn(14), one Mn(8), one Mn(9), and one Ge(4) atom. The Mn(10)-Mn(14) bond length is 2.18 Å. The Mn(10)-Ge(4) bond length is 2.82 Å. In the eleventh Mn site, Mn(11) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(12), and one Mn(4) atom. The Mn(11)-Mn(12) bond length is 1.47 Å. In the twelfth Mn site, Mn(12) is bonded in a 3-coordinate geometry to one Mn(11), one Mn(13), and one Mn(7) atom. The Mn(12)-Mn(13) bond length is 0.93 Å. In the thirteenth Mn site, Mn(13) is bonded in a single-bond geometry to one Mn(12) atom. In the fourteenth Mn site, Mn(14) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(15), one Mn(2), one Mn(3), and one Mn(7) atom. The Mn(14)-Mn(15) bond length is 1.47 Å. In the fifteenth Mn site, Mn(15) is bonded in a 1-coordinate geometry to one Mn(14) and one Mn(16) atom. The Mn(15)-Mn(16) bond length is 0.93 Å. In the sixteenth Mn site, Mn(16) is bonded in a single-bond geometry to one Mn(15) atom. There are eight inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Ge(2), one Ge(4), one Ge(5), and one Ge(6) atom. The Ge(1)-Ge(2) bond length is 1.54 Å. The Ge(1)-Ge(4) bond length is 1.42 Å. The Ge(1)-Ge(5) bond length is 1.75 Å. The Ge(1)-Ge(6) bond length is 1.73 Å. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to one Ge(1), one Ge(3), one Ge(5), and one Ge(6) atom. The Ge(2)-Ge(3) bond length is 1.42 Å. The Ge(2)-Ge(5) bond length is 1.38 Å. The Ge(2)-Ge(6) bond length is 2.04 Å. In the third Ge site, Ge(3) is bonded in a water-like geometry to one Ge(2) and one Ge(8) atom. The Ge(3)-Ge(8) bond length is 1.38 Å. In the fourth Ge site, Ge(4) is bonded in a 2-coordinate geometry to one Mn(10), one Ge(1), and one Ge(7) atom. The Ge(4)-Ge(7) bond length is 1.73 Å. In the fifth Ge site, Ge(5) is bonded in a 1-coordinate geometry to one Ge(1), one Ge(2), and one Ge(8) atom. The Ge(5)-Ge(8) bond length is 2.22 Å. In the sixth Ge site, Ge(6) is bonded in a 1-coordinate geometry to one Ge(1), one Ge(2), and one Ge(7) atom. The Ge(6)-Ge(7) bond length is 2.22 Å. In the seventh Ge site, Ge(7) is bonded in a 4-coordinate geometry to one Mn(3), one Mn(8), one Ge(4), and one Ge(6) atom. In the eighth Ge site, Ge(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Ge(3), and one Ge(5) atom.