data_TaGeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGeB2
_chemical_formula_sum   'Ta1 Ge1 B2'
_cell_volume   51.08
_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
  Ta  Ta3  1  0.0  0.0  0.54  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.59  0.59  0.4  1.0
  B  B1  1  0.59  0.59  0.67  1.0

data_TaGeB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaGeB2
_chemical_formula_sum   'Ta2 Ge2 B4'
_cell_volume   102.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.0  0.0  0.54  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  B  B2  2  0.09  0.5  0.4  1.0
  B  B3  2  0.09  0.5  0.67  1.0

Ta Ge B B
TaB2Ge crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a 10-coordinate geometry to four equivalent B(1), four equivalent B(2), and two equivalent Ge(1) atoms. There are a spread of Ta(1)-B(1) bond distances ranging from 1.98-2.72 Å. There are a spread of Ta(1)-B(2) bond distances ranging from 1.98-2.72 Å. There is one shorter (2.35 Å) and one longer (2.72 Å) Ta(1)-Ge(1) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 2-coordinate geometry to four equivalent Ta(1) and one B(2) atom. The B(1)-B(2) bond length is 1.40 Å. In the second B site, B(2) is bonded in a 6-coordinate geometry to four equivalent Ta(1), one B(1), and one Ge(1) atom. The B(2)-Ge(1) bond length is 2.49 Å. Ge(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one B(2) atom.