data_TlZn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.38
_cell_angle_alpha   100.69
_cell_angle_beta   100.69
_cell_angle_gamma   36.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Fe
_chemical_formula_sum   'Tl1 Zn2 Fe1'
_cell_volume   69.99
_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
  Tl  Tl1  1  0.49  0.0  0.42  1.0
  Zn  Zn2  1  0.9  0.0  0.98  1.0
  Zn  Zn3  1  0.42  0.0  0.93  1.0
  Fe  Fe0  1  0.01  0.0  0.87  1.0

data_TlZn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.73
_cell_length_c   5.38
_cell_angle_alpha   100.69
_cell_angle_beta   90.0
_cell_angle_gamma   108.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Fe
_chemical_formula_sum   'Tl1 Zn2 Fe1'
_cell_volume   69.99
_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
  Tl  Tl0  1  0.0  0.51  0.58  1.0
  Zn  Zn1  1  0.0  0.1  0.02  1.0
  Zn  Zn2  1  0.0  0.58  0.07  1.0
  Fe  Fe3  1  0.0  0.99  0.13  1.0

Tl Zn Zn Fe
FeZn2Tl crystallizes in the triclinic P1 space group. Fe(1) is bonded in a distorted single-bond geometry to one Zn(1), one Zn(2), and one Tl(1) atom. The Fe(1)-Zn(1) bond length is 0.84 Å. The Fe(1)-Zn(2) bond length is 1.89 Å. The Fe(1)-Tl(1) bond length is 3.11 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second Zn site, Zn(2) is bonded in a distorted single-bond geometry to one Fe(1) and two equivalent Tl(1) atoms. There is one shorter (2.57 Å) and one longer (2.85 Å) Zn(2)-Tl(1) bond length. Tl(1) is bonded in a 5-coordinate geometry to one Fe(1), two equivalent Zn(2), and two equivalent Tl(1) atoms. Both Tl(1)-Tl(1) bond lengths are 2.95 Å.