data_La2ZrTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96
_cell_length_b   9.96
_cell_length_c   9.96
_cell_angle_alpha   20.24
_cell_angle_beta   20.24
_cell_angle_gamma   20.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrTc
_chemical_formula_sum   'La2 Zr1 Tc1'
_cell_volume   103.61
_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  0.26  1.0
  La  La1  1  0.0  0.0  0.01  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.63  1.0

data_La2ZrTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   3.5
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   101.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2ZrTc
_chemical_formula_sum   'La4 Zr2 Tc2'
_cell_volume   207.22
_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  0.74  1.0
  La  La1  2  0.0  0.0  0.99  1.0
  Zr  Zr2  2  0.0  0.0  0.0  1.0
  Tc  Tc3  2  0.0  0.0  0.37  1.0

La La Zr Tc
La2ZrTc crystallizes in the monoclinic Cm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted linear geometry to one La(2) and one Tc(1) atom. The La(1)-La(2) bond length is 2.44 Å. The La(1)-Tc(1) bond length is 3.76 Å. In the second La site, La(2) is bonded in a single-bond geometry to one La(1) and one Zr(1) atom. The La(2)-Zr(1) bond length is 0.12 Å. Zr(1) is bonded in a single-bond geometry to one La(2) and one Tc(1) atom. The Zr(1)-Tc(1) bond length is 3.64 Å. Tc(1) is bonded in a distorted linear geometry to one La(1), one Zr(1), and six equivalent Tc(1) atoms. All Tc(1)-Tc(1) bond lengths are 3.50 Å.