data_LaFe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.72
_cell_angle_alpha   111.06
_cell_angle_beta   111.06
_cell_angle_gamma   56.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Tc
_chemical_formula_sum   'La1 Fe2 Tc1'
_cell_volume   75.16
_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  La2  1  0.48  0.0  0.61  1.0
  Fe  Fe0  1  0.9  0.0  0.4  1.0
  Fe  Fe1  1  0.07  0.0  0.83  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_LaFe2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.15
_cell_length_c   5.72
_cell_angle_alpha   111.06
_cell_angle_beta   90.0
_cell_angle_gamma   118.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Tc
_chemical_formula_sum   'La1 Fe2 Tc1'
_cell_volume   75.16
_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  0.52  0.39  1.0
  Fe  Fe1  1  0.0  0.1  0.6  1.0
  Fe  Fe2  1  0.0  0.93  0.17  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

La Fe Fe Tc
La Fe Fe Tc 0 1 - o o 0 1 o o o 0 2 o o o 0 2 + o o 0 3 + o + 1 3 + o o 1 2 + o o 2 3 o o + 
LaTcFe2 crystallizes in the triclinic P1 space group. La(1) is bonded in a 5-coordinate geometry to one Tc(1), two equivalent Fe(2), and three equivalent Fe(1) atoms. The La(1)-Tc(1) bond length is 2.47 Å. There is one shorter (2.30 Å) and one longer (2.44 Å) La(1)-Fe(2) bond length. There are a spread of La(1)-Fe(1) bond distances ranging from 2.30-3.42 Å. Tc(1) is bonded in a distorted single-bond geometry to one La(1), one Fe(1), and one Fe(2) atom. The Tc(1)-Fe(1) bond length is 2.45 Å. The Tc(1)-Fe(2) bond length is 1.14 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to three equivalent La(1), one Tc(1), and one Fe(2) atom. The Fe(1)-Fe(2) bond length is 2.30 Å. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to two equivalent La(1), one Tc(1), and one Fe(1) atom.