data_MgGeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGeB2
_chemical_formula_sum   'Mg1 Ge1 B2'
_cell_volume   49.91
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.64  0.0  0.0  1.0
  B  B0  1  0.32  0.65  0.43  1.0
  B  B1  1  0.32  0.35  0.43  1.0

data_MgGeB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.22
_cell_length_c   4.22
_cell_angle_alpha   102.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGeB2
_chemical_formula_sum   'Mg1 Ge1 B2'
_cell_volume   49.91
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.64  0.0  1.0
  B  B2  1  0.43  0.32  0.35  1.0
  B  B3  1  0.43  0.32  0.65  1.0

Mg Ge B B
Mg Ge B B 0 1 - o o 2 3 o o o 
MgB2Ge crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 1-coordinate geometry to two equivalent B(1), two equivalent B(2), and one Ge(1) atom. There is one shorter (2.54 Å) and one longer (2.75 Å) Mg(1)-B(1) bond length. There is one shorter (2.17 Å) and one longer (2.41 Å) Mg(1)-B(2) bond length. The Mg(1)-Ge(1) bond length is 1.51 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one B(2), and two equivalent Ge(1) atoms. The B(1)-B(2) bond length is 1.24 Å. There is one shorter (2.17 Å) and one longer (2.41 Å) B(1)-Ge(1) bond length. In the second B site, B(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one B(1) atom. Ge(1) is bonded in a single-bond geometry to one Mg(1) and two equivalent B(1) atoms.