data_LiInTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInTc2
_chemical_formula_sum   'Li1 In1 Tc2'
_cell_volume   64.88
_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
  In  In0  1  0.19  0.19  0.19  1.0
  Tc  Tc2  1  0.59  0.59  0.59  1.0
  Tc  Tc3  1  0.78  0.78  0.78  1.0

data_LiInTc2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiInTc2
_chemical_formula_sum   'Li3 In3 Tc6'
_cell_volume   194.63
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  In  In1  3  0.0  0.0  0.81  1.0
  Tc  Tc2  3  0.0  0.0  0.22  1.0
  Tc  Tc3  3  0.0  0.0  0.41  1.0

Li In Tc Tc
LiTc2In crystallizes in the trigonal R3m space group. Li(1) is bonded in a 2-coordinate geometry to one Tc(2), three equivalent Tc(1), and one In(1) atom. The Li(1)-Tc(2) bond length is 2.39 Å. All Li(1)-Tc(1) bond lengths are 2.72 Å. The Li(1)-In(1) bond length is 2.09 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Tc(2), and three equivalent In(1) atoms. The Tc(1)-Tc(2) bond length is 2.09 Å. All Tc(1)-In(1) bond lengths are 2.72 Å. In the second Tc site, Tc(2) is bonded in a 1-coordinate geometry to one Li(1) and one Tc(1) atom. In(1) is bonded in a single-bond geometry to one Li(1) and three equivalent Tc(1) atoms.