data_TlFe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Co
_chemical_formula_sum   'Tl1 Fe2 Co1'
_cell_volume   58.38
_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  0.69  0.0  0.0  1.0
  Fe  Fe1  1  0.34  0.81  0.5  1.0
  Fe  Fe2  1  0.34  0.19  0.5  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_TlFe2Co
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.51
_cell_length_b   3.0
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   106.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlFe2Co
_chemical_formula_sum   'Tl1 Fe2 Co1'
_cell_volume   58.38
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.69  0.0  0.0  1.0
  Fe  Fe1  1  0.34  0.5  0.19  1.0
  Fe  Fe2  1  0.34  0.5  0.81  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Tl Fe Fe Co
Fe2CoTl crystallizes in the monoclinic Pm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to two equivalent Fe(2) and two equivalent Tl(1) atoms. There is one shorter (1.70 Å) and one longer (2.81 Å) Fe(1)-Fe(2) bond length. Both Fe(1)-Tl(1) bond lengths are 2.15 Å. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Co(1), and two equivalent Tl(1) atoms. Both Fe(2)-Co(1) bond lengths are 2.15 Å. Both Fe(2)-Tl(1) bond lengths are 2.48 Å. Co(1) is bonded in a distorted single-bond geometry to two equivalent Fe(2) and one Tl(1) atom. The Co(1)-Tl(1) bond length is 1.41 Å. Tl(1) is bonded in a 1-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), and one Co(1) atom.