data_LiLaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaTc2
_chemical_formula_sum   'Li1 La1 Tc2'
_cell_volume   77.05
_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  Li1  1  0.0  0.0  0.4  1.0
  La  La0  1  0.56  0.56  0.74  1.0
  Tc  Tc2  1  0.56  0.56  0.18  1.0
  Tc  Tc3  1  0.0  0.0  0.48  1.0

data_LiLaTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLaTc2
_chemical_formula_sum   'Li2 La2 Tc4'
_cell_volume   154.09
_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  0.4  1.0
  La  La1  2  0.06  0.5  0.74  1.0
  Tc  Tc2  2  0.0  0.0  0.48  1.0
  Tc  Tc3  2  0.06  0.5  0.18  1.0

Li La Tc Tc
Li La Tc Tc 0 3 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o + 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 
LiLaTc2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a single-bond geometry to one Tc(2) and four equivalent Tc(1) atoms. The Li(1)-Tc(2) bond length is 0.68 Å. There are a spread of Li(1)-Tc(1) bond distances ranging from 2.56-3.01 Å. La(1) is bonded in a 9-coordinate geometry to four equivalent La(1), one Tc(1), and four equivalent Tc(2) atoms. All La(1)-La(1) bond lengths are 3.13 Å. The La(1)-Tc(1) bond length is 3.47 Å. There are a spread of La(1)-Tc(2) bond distances ranging from 2.81-3.23 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one La(1) atom. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Li(1) and four equivalent La(1) atoms.