data_LaTl2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Fe
_chemical_formula_sum   'La1 Tl2 Fe1'
_cell_volume   97.56
_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  La1  1  0.76  0.71  0.58  1.0
  Tl  Tl2  1  0.37  0.0  0.18  1.0
  Tl  Tl3  1  0.65  0.71  0.82  1.0
  Fe  Fe0  1  0.38  0.0  0.31  1.0

data_LaTl2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Fe
_chemical_formula_sum   'La1 Tl2 Fe1'
_cell_volume   97.56
_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  0.76  0.71  0.58  1.0
  Tl  Tl1  1  0.37  0.0  0.18  1.0
  Tl  Tl2  1  0.65  0.71  0.82  1.0
  Fe  Fe3  1  0.38  0.0  0.31  1.0

La Tl Tl Fe
La Tl Tl Fe 0 2 o o o 1 3 o o o 
LaFeTl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaFeTl2 cluster. La(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Tl(2) atom. The La(1)-Fe(1) bond length is 2.81 Å. The La(1)-Tl(2) bond length is 2.07 Å. Fe(1) is bonded in a distorted single-bond geometry to one La(1) and one Tl(1) atom. The Fe(1)-Tl(1) bond length is 1.04 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one La(1) atom.