data_Li2TaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaCl
_chemical_formula_sum   'Li2 Ta1 Cl1'
_cell_volume   68.4
_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  0.57  0.0  0.67  1.0
  Li  Li2  1  0.57  0.0  0.98  1.0
  Ta  Ta3  1  0.0  0.0  0.32  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Li2TaCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaCl
_chemical_formula_sum   'Li2 Ta1 Cl1'
_cell_volume   68.4
_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  0.57  0.0  0.67  1.0
  Li  Li1  1  0.57  0.0  0.98  1.0
  Ta  Ta2  1  0.0  0.0  0.32  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Li Li Ta Cl
Li2TaCl crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 9-coordinate geometry to one Li(2), six equivalent Li(1), and two equivalent Ta(1) atoms. The Li(1)-Li(2) bond length is 2.64 Å. There are four shorter (2.97 Å) and two longer (3.14 Å) Li(1)-Li(1) bond lengths. There is one shorter (3.27 Å) and one longer (3.45 Å) Li(1)-Ta(1) bond length. In the second Li site, Li(2) is bonded in a distorted linear geometry to one Li(1) and two equivalent Cl(1) atoms. There is one shorter (1.30 Å) and one longer (1.70 Å) Li(2)-Cl(1) bond length. Ta(1) is bonded in a distorted single-bond geometry to two equivalent Li(1) and one Cl(1) atom. The Ta(1)-Cl(1) bond length is 2.80 Å. Cl(1) is bonded in a distorted linear geometry to two equivalent Li(2) and one Ta(1) atom.