data_LaTc2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc2Ni
_chemical_formula_sum   'La1 Tc2 Ni1'
_cell_volume   72.39
_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
  La  La0  1  0.0  0.0  0.53  1.0
  Tc  Tc2  1  0.6  0.6  0.19  1.0
  Tc  Tc3  1  0.6  0.6  0.88  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_LaTc2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTc2Ni
_chemical_formula_sum   'La2 Tc4 Ni2'
_cell_volume   144.78
_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
  La  La0  2  0.0  0.0  0.53  1.0
  Tc  Tc1  2  0.1  0.5  0.19  1.0
  Tc  Tc2  2  0.1  0.5  0.88  1.0
  Ni  Ni3  2  0.0  0.0  0.0  1.0

La Tc Tc Ni
La Tc Tc Ni 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 0 + o o 0 0 o + o 0 3 o o o 0 3 o o + 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o o - 2 3 o + + 2 3 + o + 2 3 + + + 
LaTc2Ni crystallizes in the monoclinic Cm space group. La(1) is bonded in a 13-coordinate geometry to four equivalent La(1), four equivalent Tc(1), four equivalent Tc(2), and one Ni(1) atom. All La(1)-La(1) bond lengths are 3.20 Å. There are a spread of La(1)-Tc(1) bond distances ranging from 3.05-3.66 Å. There are a spread of La(1)-Tc(2) bond distances ranging from 3.05-3.66 Å. The La(1)-Ni(1) bond length is 3.29 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 13-coordinate geometry to four equivalent La(1), one Tc(2), four equivalent Tc(1), and four equivalent Ni(1) atoms. The Tc(1)-Tc(2) bond length is 2.16 Å. All Tc(1)-Tc(1) bond lengths are 3.20 Å. There are a spread of Tc(1)-Ni(1) bond distances ranging from 2.24-3.02 Å. In the second Tc site, Tc(2) is bonded in a 9-coordinate geometry to four equivalent La(1), one Tc(1), and four equivalent Ni(1) atoms. There are a spread of Tc(2)-Ni(1) bond distances ranging from 1.99-2.84 Å. Ni(1) is bonded in a 9-coordinate geometry to one La(1), four equivalent Tc(1), and four equivalent Tc(2) atoms.