data_LiTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcIr2
_chemical_formula_sum   'Li1 Tc1 Ir2'
_cell_volume   57.82
_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  Li2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.55  1.0
  Ir  Ir0  1  0.38  0.0  0.85  1.0
  Ir  Ir1  1  0.38  0.0  0.25  1.0

data_LiTcIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.68
_cell_length_b   4.74
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiTcIr2
_chemical_formula_sum   'Li2 Tc2 Ir4'
_cell_volume   115.72
_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
  Tc  Tc1  2  0.0  0.0  0.55  1.0
  Ir  Ir2  2  0.38  0.0  0.25  1.0
  Ir  Ir3  2  0.38  0.0  0.85  1.0

Li Tc Ir Ir
Li Tc Ir Ir 0 2 o o - 0 3 o o o 0 3 - o o 1 1 + + o 1 1 o + o 1 1 + o o 1 3 - o o 1 3 o o o 1 2 - o o 1 2 o o o 3 3 + + o 3 3 o + o 3 3 + o o 
LiTcIr2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 1-coordinate geometry to one Ir(2) and two equivalent Ir(1) atoms. The Li(1)-Ir(2) bond length is 2.51 Å. There is one shorter (1.71 Å) and one longer (2.15 Å) Li(1)-Ir(1) bond length. Tc(1) is bonded in a 10-coordinate geometry to six equivalent Tc(1), two equivalent Ir(1), and two equivalent Ir(2) atoms. There are four shorter (2.68 Å) and two longer (2.77 Å) Tc(1)-Tc(1) bond lengths. There is one shorter (2.91 Å) and one longer (3.18 Å) Tc(1)-Ir(1) bond length. There is one shorter (2.91 Å) and one longer (3.18 Å) Tc(1)-Ir(2) bond length. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted L-shaped geometry to two equivalent Li(1) and two equivalent Tc(1) atoms. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Li(1) and two equivalent Tc(1) atoms.