data_Li2TaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaRe
_chemical_formula_sum   'Li2 Ta1 Re1'
_cell_volume   63.42
_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  0.83  0.38  1.0
  Li  Li1  1  0.83  0.0  0.38  1.0
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.83  0.83  0.0  1.0

data_Li2TaRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2TaRe
_chemical_formula_sum   'Li4 Ta2 Re2'
_cell_volume   126.83
_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
  Li  Li0  4  0.41  0.41  0.38  1.0
  Ta  Ta1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.33  0.5  -0.0  1.0

Li Li Ta Re
Li Li Ta Re 0 1 - + o 2 3 - - o 
Li2TaRe is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2TaRe clusters. Li(1) is bonded in a 3-coordinate geometry to one Li(1), one Ta(1), and one Re(1) atom. The Li(1)-Li(1) bond length is 0.90 Å. The Li(1)-Ta(1) bond length is 1.91 Å. The Li(1)-Re(1) bond length is 1.91 Å. Ta(1) is bonded in a single-bond geometry to two equivalent Li(1) and one Re(1) atom. The Ta(1)-Re(1) bond length is 0.90 Å. Re(1) is bonded in a single-bond geometry to two equivalent Li(1) and one Ta(1) atom.