data_MnTlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.22
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   92.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlFe2
_chemical_formula_sum   'Mn1 Tl1 Fe2'
_cell_volume   59.13
_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
  Mn  Mn2  1  0.88  0.0  0.79  1.0
  Tl  Tl3  1  0.29  0.61  0.59  1.0
  Fe  Fe0  1  0.99  0.0  0.26  1.0
  Fe  Fe1  1  0.43  0.61  0.46  1.0

data_MnTlFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.22
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   92.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlFe2
_chemical_formula_sum   'Mn1 Tl1 Fe2'
_cell_volume   59.13
_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
  Mn  Mn0  1  0.88  0.0  0.79  1.0
  Tl  Tl1  1  0.29  0.61  0.59  1.0
  Fe  Fe2  1  0.43  0.61  0.46  1.0
  Fe  Fe3  1  0.99  0.0  0.26  1.0

Mn Tl Fe Fe
MnFe2Tl crystallizes in the triclinic P1 space group. Mn(1) is bonded in a 4-coordinate geometry to one Fe(1) and three equivalent Tl(1) atoms. The Mn(1)-Fe(1) bond length is 2.87 Å. There are a spread of Mn(1)-Tl(1) bond distances ranging from 2.17-2.66 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Mn(1) and one Fe(2) atom. The Fe(1)-Fe(2) bond length is 2.14 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(1) and one Tl(1) atom. The Fe(2)-Tl(1) bond length is 0.93 Å. Tl(1) is bonded in a single-bond geometry to three equivalent Mn(1) and one Fe(2) atom.