data_LiTa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Re
_chemical_formula_sum   'Li1 Ta2 Re1'
_cell_volume   63.05
_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  0.0  0.05  1.0
  Ta  Ta2  1  0.0  0.0  0.81  1.0
  Ta  Ta3  1  0.63  0.63  0.62  1.0
  Re  Re1  1  0.63  0.63  0.33  1.0

data_LiTa2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiTa2Re
_chemical_formula_sum   'Li2 Ta4 Re2'
_cell_volume   126.1
_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  2  0.0  0.0  0.05  1.0
  Ta  Ta1  2  0.0  0.0  0.81  1.0
  Ta  Ta2  2  0.13  0.5  0.62  1.0
  Re  Re3  2  0.13  0.5  0.33  1.0

Li Ta Ta Re
LiTa2Re is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiTa2Re clusters. Li(1) is bonded in a 1-coordinate geometry to one Ta(1) and one Re(1) atom. The Li(1)-Ta(1) bond length is 1.41 Å. The Li(1)-Re(1) bond length is 2.38 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Li(1) atom. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Re(1) atom. The Ta(2)-Re(1) bond length is 1.74 Å. Re(1) is bonded in a 2-coordinate geometry to one Li(1) and one Ta(2) atom.