data_TaGe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGe5
_chemical_formula_sum   'Ta1 Ge5'
_cell_volume   116.52
_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  Ta5  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.58  0.49  0.0  1.0
  Ge  Ge1  1  0.0  0.98  0.0  1.0
  Ge  Ge2  1  0.71  0.23  0.53  1.0
  Ge  Ge3  1  0.29  0.23  0.53  1.0
  Ge  Ge4  1  0.58  0.0  0.53  1.0

data_TaGe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGe5
_chemical_formula_sum   'Ta1 Ge5'
_cell_volume   116.52
_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  Ta0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  -0.0  0.58  0.49  1.0
  Ge  Ge2  1  -0.0  -0.0  0.98  1.0
  Ge  Ge3  1  0.53  0.29  0.23  1.0
  Ge  Ge4  1  0.53  0.58  0.0  1.0
  Ge  Ge5  1  0.53  0.71  0.23  1.0

Ta Ge Ge Ge Ge Ge
TaGe5 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a single-bond geometry to one Ge(1), one Ge(2), and two equivalent Ge(4) atoms. The Ta(1)-Ge(1) bond length is 2.78 Å. The Ta(1)-Ge(2) bond length is 0.12 Å. There is one shorter (2.75 Å) and one longer (3.01 Å) Ta(1)-Ge(4) bond length. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to one Ta(1), one Ge(2), and two equivalent Ge(4) atoms. The Ge(1)-Ge(2) bond length is 2.37 Å. There is one shorter (2.77 Å) and one longer (3.03 Å) Ge(1)-Ge(4) bond length. In the second Ge site, Ge(2) is bonded in a single-bond geometry to one Ta(1), one Ge(1), and two equivalent Ge(4) atoms. There is one shorter (2.77 Å) and one longer (3.03 Å) Ge(2)-Ge(4) bond length. In the third Ge site, Ge(3) is bonded in a distorted single-bond geometry to one Ge(5) and two equivalent Ge(4) atoms. The Ge(3)-Ge(5) bond length is 1.04 Å. There is one shorter (2.17 Å) and one longer (2.98 Å) Ge(3)-Ge(4) bond length. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to two equivalent Ta(1), one Ge(5), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. The Ge(4)-Ge(5) bond length is 2.34 Å. In the fifth Ge site, Ge(5) is bonded in a single-bond geometry to one Ge(3) and one Ge(4) atom.