data_TlFe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.65
_cell_angle_alpha   112.83
_cell_angle_beta   112.83
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Ag
_chemical_formula_sum   'Tl1 Fe2 Ag1'
_cell_volume   66.22
_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  Tl3  1  0.19  0.0  0.21  1.0
  Fe  Fe1  1  0.97  0.0  0.19  1.0
  Fe  Fe2  1  0.36  0.0  0.28  1.0
  Ag  Ag0  1  0.98  0.0  0.95  1.0

data_TlFe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.65
_cell_length_c   5.27
_cell_angle_alpha   112.83
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Ag
_chemical_formula_sum   'Tl1 Fe2 Ag1'
_cell_volume   66.22
_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  0.21  0.19  1.0
  Fe  Fe1  1  0.0  0.19  0.97  1.0
  Fe  Fe2  1  0.0  0.28  0.36  1.0
  Ag  Ag3  1  0.0  0.95  0.98  1.0

Tl Fe Fe Ag
Fe2AgTl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Fe2AgTl cluster. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Ag(1) and one Tl(1) atom. The Fe(1)-Ag(1) bond length is 1.11 Å. The Fe(1)-Tl(1) bond length is 1.12 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Tl(1) atom. The Fe(2)-Tl(1) bond length is 0.83 Å. Ag(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Tl(1) atom. The Ag(1)-Tl(1) bond length is 1.28 Å. Tl(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Ag(1) atom.