data_LiTa2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   3.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Ir
_chemical_formula_sum   'Li1 Ta2 Ir1'
_cell_volume   63.24
_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  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.03  0.92  1.0
  Ta  Ta3  1  0.03  0.0  0.92  1.0
  Ir  Ir0  1  0.03  0.03  0.0  1.0

data_LiTa2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   3.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiTa2Ir
_chemical_formula_sum   'Li2 Ta4 Ir2'
_cell_volume   126.47
_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  0.0  1.0
  Ta  Ta1  4  0.02  0.02  0.92  1.0
  Ir  Ir2  2  0.03  0.0  0.0  1.0

Li Ta Ta Ir
LiTa2Ir is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiTa2Ir clusters. Li(1) is bonded in a single-bond geometry to two equivalent Ta(1) and one Ir(1) atom. Both Li(1)-Ta(1) bond lengths are 0.34 Å. The Li(1)-Ir(1) bond length is 0.17 Å. Ta(1) is bonded in a 3-coordinate geometry to one Li(1), one Ta(1), and one Ir(1) atom. The Ta(1)-Ta(1) bond length is 0.17 Å. The Ta(1)-Ir(1) bond length is 0.34 Å. Ir(1) is bonded in a single-bond geometry to one Li(1) and two equivalent Ta(1) atoms.