data_Ba2TaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   10.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TaGe
_chemical_formula_sum   'Ba2 Ta1 Ge1'
_cell_volume   120.22
_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
  Ba  Ba0  1  0.69  0.69  0.01  1.0
  Ba  Ba1  1  0.69  0.69  0.48  1.0
  Ta  Ta3  1  0.0  0.0  0.24  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_Ba2TaGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   10.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2TaGe
_chemical_formula_sum   'Ba4 Ta2 Ge2'
_cell_volume   240.45
_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
  Ba  Ba0  2  0.19  0.5  0.01  1.0
  Ba  Ba1  2  0.19  0.5  0.48  1.0
  Ta  Ta2  2  0.0  0.0  0.24  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Ba Ba Ta Ge
Ba Ba Ta Ge 0 3 + + o 0 2 + + o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 2 3 o o o 
Ba2TaGe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2TaGe clusters. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted single-bond geometry to one Ge(1) atom. The Ba(1)-Ge(1) bond length is 1.47 Å. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one Ta(1) atom. The Ba(2)-Ta(1) bond length is 2.86 Å. Ta(1) is bonded in a 2-coordinate geometry to one Ba(2) and one Ge(1) atom. The Ta(1)-Ge(1) bond length is 2.55 Å. Ge(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Ta(1) atom.