data_LaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.8
_cell_length_b   9.14
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc
_chemical_formula_sum   'La12 Tc12'
_cell_volume   616.82
_cell_formula_units_Z   12
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  0.85  0.47  0.72  1.0
  La  La1  1  0.95  0.67  0.17  1.0
  La  La2  1  0.95  0.04  0.72  1.0
  La  La3  1  0.85  0.1  0.17  1.0
  La  La4  1  0.1  0.65  0.72  1.0
  La  La5  1  0.7  0.49  0.17  1.0
  La  La6  1  0.7  0.08  0.72  1.0
  La  La7  1  0.1  0.06  0.17  1.0
  La  La8  1  0.71  0.86  0.0  1.0
  La  La9  1  0.09  0.29  0.44  1.0
  La  La10  1  0.09  0.29  0.0  1.0
  La  La11  1  0.71  0.86  0.44  1.0
  Tc  Tc12  1  0.02  0.68  0.72  1.0
  Tc  Tc13  1  0.78  0.46  0.17  1.0
  Tc  Tc14  1  0.78  0.25  0.72  1.0
  Tc  Tc15  1  0.02  0.89  0.17  1.0
  Tc  Tc16  1  0.41  0.93  0.72  1.0
  Tc  Tc17  1  0.39  0.21  0.17  1.0
  Tc  Tc18  1  0.39  0.36  0.72  1.0
  Tc  Tc19  1  0.41  0.78  0.17  1.0
  Tc  Tc20  1  0.2  0.86  0.0  1.0
  Tc  Tc21  1  0.6  0.29  0.44  1.0
  Tc  Tc22  1  0.6  0.29  0.0  1.0
  Tc  Tc23  1  0.2  0.86  0.44  1.0

data_LaTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.89
_cell_length_b   9.14
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc
_chemical_formula_sum   'La12 Tc12'
_cell_volume   616.82
_cell_formula_units_Z   12
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  0.14  0.29  1.0
  La  La1  1  0.0  0.71  0.91  1.0
  La  La2  1  0.28  0.35  0.9  1.0
  La  La3  1  0.28  0.53  0.15  1.0
  La  La4  1  0.28  0.92  0.3  1.0
  La  La5  1  0.28  0.96  0.05  1.0
  La  La6  1  0.56  0.14  0.29  1.0
  La  La7  1  0.56  0.71  0.91  1.0
  La  La8  1  0.83  0.33  0.05  1.0
  La  La9  1  0.83  0.51  0.3  1.0
  La  La10  1  0.83  0.9  0.15  1.0
  La  La11  1  0.83  0.94  0.9  1.0
  Tc  Tc12  1  0.0  0.14  0.8  1.0
  Tc  Tc13  1  0.0  0.71  0.4  1.0
  Tc  Tc14  1  0.28  0.07  0.59  1.0
  Tc  Tc15  1  0.28  0.32  0.98  1.0
  Tc  Tc16  1  0.28  0.64  0.61  1.0
  Tc  Tc17  1  0.28  0.75  0.22  1.0
  Tc  Tc18  1  0.56  0.14  0.8  1.0
  Tc  Tc19  1  0.56  0.71  0.4  1.0
  Tc  Tc20  1  0.83  0.11  0.98  1.0
  Tc  Tc21  1  0.83  0.22  0.59  1.0
  Tc  Tc22  1  0.83  0.54  0.22  1.0
  Tc  Tc23  1  0.83  0.79  0.61  1.0

La La La La La La La La La La La La Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc
La La La La La La La La La La La La Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc 0 14 o o o 0 12 + o o 0 9 + o o 1 13 o o o 1 15 + o o 1 8 o o o 1 11 o o o 2 14 o o o 2 6 o o o 2 8 o - + 2 9 + o o 2 11 o - o 3 8 o - o 3 22 o o o 3 7 + o o 3 15 + - o 3 10 + o o 3 9 + o o 3 11 o - o 4 12 o o o 4 9 o o o 4 23 o o o 5 13 o o o 5 8 o o o 5 11 o o o 5 21 o o o 5 22 o o o 6 14 o o o 6 8 o - + 6 11 o - o 6 16 o - o 6 21 o o o 6 22 o o + 7 15 o - o 7 9 o o o 7 10 o o o 7 17 o o o 7 20 o - o 7 23 o - o 8 19 o o o 8 16 o o - 8 15 + o o 8 11 o o o 9 14 - o o 9 17 o o o 9 10 o o o 9 18 o o o 10 17 o o o 10 18 o o - 11 19 o o o 11 16 o o o 11 15 + o o 12 23 o o o 13 21 o o o 13 22 o o o 14 21 o o o 14 22 o o + 15 20 o o o 15 23 o o o 16 23 o o o 16 20 o o + 16 19 o o + 17 22 o o o 17 21 o o o 17 18 o o - 18 21 o o o 18 22 o o + 19 20 o o o 19 23 o o o 20 23 o o o 21 22 o o o 
LaTc crystallizes in the triclinic P1 space group. There are twelve inequivalent La sites. In the first La site, La(1) is bonded in a 2-coordinate geometry to one La(12), one Tc(1), and one Tc(3) atom. The La(1)-La(12) bond length is 4.23 Å. The La(1)-Tc(1) bond length is 2.52 Å. The La(1)-Tc(3) bond length is 2.14 Å. In the second La site, La(2) is bonded in a 2-coordinate geometry to one La(12), one Tc(12), one Tc(2), and one Tc(4) atom. The La(2)-La(12) bond length is 3.50 Å. The La(2)-Tc(12) bond length is 3.52 Å. The La(2)-Tc(2) bond length is 2.52 Å. The La(2)-Tc(4) bond length is 2.14 Å. In the third La site, La(3) is bonded in a 1-coordinate geometry to one La(12), one Tc(12), and one Tc(3) atom. The La(3)-La(12) bond length is 3.50 Å. The La(3)-Tc(12) bond length is 3.52 Å. The La(3)-Tc(3) bond length is 2.52 Å. In the fourth La site, La(4) is bonded in a 1-coordinate geometry to one La(12) and one Tc(4) atom. The La(4)-La(12) bond length is 3.23 Å. The La(4)-Tc(4) bond length is 2.52 Å. In the fifth La site, La(5) is bonded in a single-bond geometry to one Tc(1), one Tc(12), one Tc(7), and one Tc(9) atom. The La(5)-Tc(1) bond length is 0.84 Å. The La(5)-Tc(12) bond length is 2.87 Å. The La(5)-Tc(7) bond length is 3.87 Å. The La(5)-Tc(9) bond length is 2.87 Å. In the sixth La site, La(6) is bonded in a single-bond geometry to one La(12), one Tc(10), one Tc(11), one Tc(2), and one Tc(8) atom. The La(6)-La(12) bond length is 3.83 Å. The La(6)-Tc(10) bond length is 2.87 Å. The La(6)-Tc(11) bond length is 2.43 Å. The La(6)-Tc(2) bond length is 0.84 Å. The La(6)-Tc(8) bond length is 3.87 Å. In the seventh La site, La(7) is bonded in a single-bond geometry to one La(12), one Tc(10), one Tc(3), and one Tc(5) atom. The La(7)-La(12) bond length is 2.79 Å. The La(7)-Tc(10) bond length is 2.87 Å. The La(7)-Tc(3) bond length is 1.75 Å. The La(7)-Tc(5) bond length is 3.13 Å. In the eighth La site, La(8) is bonded in a distorted single-bond geometry to one La(10), one La(11), one Tc(12), one Tc(4), one Tc(6), and one Tc(9) atom. The La(8)-La(10) bond length is 2.79 Å. The La(8)-La(11) bond length is 2.32 Å. The La(8)-Tc(12) bond length is 2.87 Å. The La(8)-Tc(4) bond length is 1.75 Å. The La(8)-Tc(6) bond length is 3.13 Å. The La(8)-Tc(9) bond length is 2.43 Å. In the ninth La site, La(9) is bonded in a 1-coordinate geometry to two equivalent La(12), one Tc(5), and one Tc(8) atom. There is one shorter (3.05 Å) and one longer (3.83 Å) La(9)-La(12) bond length. The La(9)-Tc(5) bond length is 3.54 Å. The La(9)-Tc(8) bond length is 3.18 Å. In the tenth La site, La(10) is bonded in a 3-coordinate geometry to one La(8), one Tc(12), one Tc(6), and one Tc(7) atom. The La(10)-Tc(12) bond length is 4.07 Å. The La(10)-Tc(6) bond length is 3.54 Å. The La(10)-Tc(7) bond length is 3.54 Å. In the eleventh La site, La(11) is bonded in a 3-coordinate geometry to one La(8), one Tc(6), and one Tc(7) atom. The La(11)-Tc(6) bond length is 3.18 Å. The La(11)-Tc(7) bond length is 3.54 Å. In the twelfth La site, La(12) is bonded in a 13-coordinate geometry to one La(1), one La(2), one La(3), one La(4), one La(6), one La(7), two equivalent La(9), one Tc(1), one Tc(10), one Tc(4), one Tc(5), and one Tc(8) atom. The La(12)-Tc(1) bond length is 3.94 Å. The La(12)-Tc(10) bond length is 4.07 Å. The La(12)-Tc(4) bond length is 3.60 Å. The La(12)-Tc(5) bond length is 3.54 Å. The La(12)-Tc(8) bond length is 3.54 Å. There are twelve inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one La(1), one La(12), one La(5), and one Tc(12) atom. The Tc(1)-Tc(12) bond length is 3.09 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one La(2) and one La(6) atom. In the third Tc site, Tc(3) is bonded in a 2-coordinate geometry to one La(1), one La(3), and one La(7) atom. In the fourth Tc site, Tc(4) is bonded in a 2-coordinate geometry to one La(12), one La(2), one La(4), one La(8), one Tc(12), and one Tc(9) atom. The Tc(4)-Tc(12) bond length is 2.64 Å. The Tc(4)-Tc(9) bond length is 2.14 Å. In the fifth Tc site, Tc(5) is bonded in a 5-coordinate geometry to one La(12), one La(7), one La(9), one Tc(12), one Tc(8), and one Tc(9) atom. The Tc(5)-Tc(12) bond length is 2.91 Å. The Tc(5)-Tc(8) bond length is 3.32 Å. The Tc(5)-Tc(9) bond length is 2.91 Å. In the sixth Tc site, Tc(6) is bonded in a 6-coordinate geometry to one La(10), one La(11), one La(8), one Tc(10), one Tc(11), and one Tc(7) atom. The Tc(6)-Tc(10) bond length is 2.91 Å. The Tc(6)-Tc(11) bond length is 2.47 Å. The Tc(6)-Tc(7) bond length is 3.32 Å. In the seventh Tc site, Tc(7) is bonded in a 5-coordinate geometry to one La(10), one La(11), one La(5), one Tc(10), one Tc(11), and one Tc(6) atom. The Tc(7)-Tc(10) bond length is 2.91 Å. The Tc(7)-Tc(11) bond length is 2.91 Å. In the eighth Tc site, Tc(8) is bonded in a 6-coordinate geometry to one La(12), one La(6), one La(9), one Tc(12), one Tc(5), and one Tc(9) atom. The Tc(8)-Tc(12) bond length is 2.91 Å. The Tc(8)-Tc(9) bond length is 2.47 Å. In the ninth Tc site, Tc(9) is bonded in a 3-coordinate geometry to one La(5), one La(8), one Tc(12), one Tc(4), one Tc(5), and one Tc(8) atom. The Tc(9)-Tc(12) bond length is 3.05 Å. In the tenth Tc site, Tc(10) is bonded in a 2-coordinate geometry to one La(12), one La(6), one La(7), one Tc(6), and one Tc(7) atom. In the eleventh Tc site, Tc(11) is bonded in a 1-coordinate geometry to one La(6), one Tc(6), and one Tc(7) atom. In the twelfth Tc site, Tc(12) is bonded in a 10-coordinate geometry to one La(10), one La(2), one La(3), one La(5), one La(8), one Tc(1), one Tc(4), one Tc(5), one Tc(8), and one Tc(9) atom.