data_MnGe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   3.34
_cell_angle_alpha   96.28
_cell_angle_beta   96.28
_cell_angle_gamma   108.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe2B
_chemical_formula_sum   'Mn1 Ge2 B1'
_cell_volume   55.45
_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  0.47  0.0  0.0  1.0
  Ge  Ge1  1  0.92  0.71  0.64  1.0
  Ge  Ge2  1  0.92  0.29  0.64  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_MnGe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.22
_cell_length_c   4.22
_cell_angle_alpha   108.31
_cell_angle_beta   96.28
_cell_angle_gamma   96.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe2B
_chemical_formula_sum   'Mn1 Ge2 B1'
_cell_volume   55.45
_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  0.47  0.0  1.0
  Ge  Ge1  1  0.64  0.92  0.29  1.0
  Ge  Ge2  1  0.64  0.92  0.71  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Mn Ge Ge B
MnBGe2 crystallizes in the triclinic P1 space group. Mn(1) is bonded in a 5-coordinate geometry to two equivalent B(1), one Ge(1), and two equivalent Ge(2) atoms. There is one shorter (1.99 Å) and one longer (2.23 Å) Mn(1)-B(1) bond length. The Mn(1)-Ge(1) bond length is 2.36 Å. There is one shorter (2.44 Å) and one longer (2.60 Å) Mn(1)-Ge(2) bond length. B(1) is bonded in a 6-coordinate geometry to two equivalent Mn(1), two equivalent Ge(1), and two equivalent Ge(2) atoms. There is one shorter (1.55 Å) and one longer (2.57 Å) B(1)-Ge(1) bond length. There is one shorter (1.88 Å) and one longer (2.44 Å) B(1)-Ge(2) bond length. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 1-coordinate geometry to one Mn(1), two equivalent B(1), and one Ge(2) atom. The Ge(1)-Ge(2) bond length is 1.78 Å. In the second Ge site, Ge(2) is bonded in a 5-coordinate geometry to two equivalent Mn(1), two equivalent B(1), and one Ge(1) atom.