data_LaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc2
_chemical_formula_sum   'La4 Tc8'
_cell_volume   236.62
_cell_formula_units_Z   4
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
  La  La0  1  0.0  0.18  0.57  1.0
  La  La1  1  0.0  0.18  0.93  1.0
  La  La2  1  0.75  0.59  0.07  1.0
  La  La3  1  0.75  0.59  0.44  1.0
  Tc  Tc4  1  0.0  0.0  0.0  1.0
  Tc  Tc5  1  0.0  0.0  0.5  1.0
  Tc  Tc6  1  0.0  0.62  0.75  1.0
  Tc  Tc7  1  0.65  0.96  0.75  1.0
  Tc  Tc8  1  0.4  0.81  0.25  1.0
  Tc  Tc9  1  0.35  0.96  0.75  1.0
  Tc  Tc10  1  0.1  0.81  0.25  1.0
  Tc  Tc11  1  0.75  0.15  0.25  1.0

data_LaTc2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.51
_cell_length_b   9.0
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaTc2
_chemical_formula_sum   'La4 Tc8'
_cell_volume   236.62
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  La  La0  2  -0.0  0.18  0.18  1.0
  La  La1  2  0.75  0.32  0.59  1.0
  Tc  Tc2  2  0.0  0.25  0.0  1.0
  Tc  Tc3  1  -0.0  0.0  0.62  1.0
  Tc  Tc4  1  0.1  0.5  0.81  1.0
  Tc  Tc5  1  0.35  0.0  0.96  1.0
  Tc  Tc6  1  0.4  0.5  0.81  1.0
  Tc  Tc7  1  0.65  0.0  0.96  1.0
  Tc  Tc8  1  0.75  0.5  0.15  1.0

La La La La Tc Tc Tc Tc Tc Tc Tc Tc
LaTc2 crystallizes in the triclinic P1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a distorted single-bond geometry to one Tc(2), one Tc(3), and one Tc(4) atom. The La(1)-Tc(2) bond length is 1.16 Å. The La(1)-Tc(3) bond length is 2.95 Å. The La(1)-Tc(4) bond length is 2.37 Å. In the second La site, La(2) is bonded in a distorted single-bond geometry to one Tc(1), one Tc(3), and one Tc(4) atom. The La(2)-Tc(1) bond length is 1.16 Å. The La(2)-Tc(3) bond length is 2.94 Å. The La(2)-Tc(4) bond length is 2.36 Å. In the third La site, La(3) is bonded in a 2-coordinate geometry to one Tc(1), one Tc(3), one Tc(5), one Tc(7), and one Tc(8) atom. The La(3)-Tc(1) bond length is 2.06 Å. The La(3)-Tc(3) bond length is 3.12 Å. The La(3)-Tc(5) bond length is 3.20 Å. The La(3)-Tc(7) bond length is 2.36 Å. The La(3)-Tc(8) bond length is 2.94 Å. In the fourth La site, La(4) is bonded in a 2-coordinate geometry to one Tc(2), one Tc(3), one Tc(5), one Tc(7), and one Tc(8) atom. The La(4)-Tc(2) bond length is 2.05 Å. The La(4)-Tc(3) bond length is 3.12 Å. The La(4)-Tc(5) bond length is 3.21 Å. The La(4)-Tc(7) bond length is 2.37 Å. The La(4)-Tc(8) bond length is 2.95 Å. There are eight inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted bent 150 degrees geometry to one La(2) and one La(3) atom. In the second Tc site, Tc(2) is bonded in a distorted bent 150 degrees geometry to one La(1) and one La(4) atom. In the third Tc site, Tc(3) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one La(4), and one Tc(6) atom. The Tc(3)-Tc(6) bond length is 1.89 Å. In the fourth Tc site, Tc(4) is bonded in a 3-coordinate geometry to one La(1), one La(2), and one Tc(6) atom. The Tc(4)-Tc(6) bond length is 1.66 Å. In the fifth Tc site, Tc(5) is bonded in a 4-coordinate geometry to one La(3), one La(4), one Tc(7), and one Tc(8) atom. The Tc(5)-Tc(7) bond length is 1.66 Å. The Tc(5)-Tc(8) bond length is 1.89 Å. In the sixth Tc site, Tc(6) is bonded in a distorted bent 120 degrees geometry to one Tc(3) and one Tc(4) atom. In the seventh Tc site, Tc(7) is bonded in a 3-coordinate geometry to one La(3), one La(4), and one Tc(5) atom. In the eighth Tc site, Tc(8) is bonded in a 3-coordinate geometry to one La(3), one La(4), and one Tc(5) atom.