data_Li2TaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   151.96
_cell_angle_beta   132.77
_cell_angle_gamma   55.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaGe
_chemical_formula_sum   'Li2 Ta1 Ge1'
_cell_volume   66.21
_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
  Li  Li1  1  0.0  0.32  0.78  1.0
  Li  Li2  1  0.4  0.0  0.33  1.0
  Ta  Ta3  1  0.0  0.0  0.11  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Li2TaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.63
_cell_length_c   5.78
_cell_angle_alpha   113.61
_cell_angle_beta   104.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaGe
_chemical_formula_sum   'Li2 Ta1 Ge1'
_cell_volume   66.21
_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
  Li  Li0  1  0.0  0.33  0.93  1.0
  Li  Li1  1  0.68  0.47  0.47  1.0
  Ta  Ta2  1  0.0  0.11  0.11  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Li Li Ta Ge
Li2TaGe crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Ge(1) atom. There is one shorter (2.44 Å) and one longer (2.46 Å) Li(1)-Ta(1) bond length. The Li(1)-Ge(1) bond length is 3.00 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Ge(1) atoms. The Li(2)-Ta(1) bond length is 1.72 Å. There is one shorter (1.73 Å) and one longer (2.98 Å) Li(2)-Ge(1) bond length. Ta(1) is bonded in a single-bond geometry to one Li(2), two equivalent Li(1), and one Ge(1) atom. The Ta(1)-Ge(1) bond length is 0.62 Å. Ge(1) is bonded in a single-bond geometry to one Li(1), two equivalent Li(2), and one Ta(1) atom.