data_TlFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Pd
_chemical_formula_sum   'Tl1 Fe2 Pd1'
_cell_volume   62.63
_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  0.55  0.55  1.0  1.0
  Fe  Fe0  1  0.0  0.0  0.29  1.0
  Fe  Fe1  1  0.55  0.55  0.47  1.0
  Pd  Pd2  1  0.0  0.0  0.06  1.0

data_TlFe2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlFe2Pd
_chemical_formula_sum   'Tl2 Fe4 Pd2'
_cell_volume   125.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.05  0.5  1.0  1.0
  Fe  Fe1  2  0.0  0.0  0.29  1.0
  Fe  Fe2  2  0.05  0.5  0.47  1.0
  Pd  Pd3  2  0.0  0.0  0.06  1.0

Tl Fe Fe Pd
Fe2PdTl crystallizes in the monoclinic Cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to four equivalent Fe(2) and one Pd(1) atom. There are a spread of Fe(1)-Fe(2) bond distances ranging from 2.29-2.65 Å. The Fe(1)-Pd(1) bond length is 1.53 Å. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), and two equivalent Tl(1) atoms. All Fe(2)-Fe(2) bond lengths are 3.09 Å. There is one shorter (3.07 Å) and one longer (3.48 Å) Fe(2)-Tl(1) bond length. Pd(1) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Tl(1) atoms. There are a spread of Pd(1)-Tl(1) bond distances ranging from 2.02-2.42 Å. Tl(1) is bonded in a 4-coordinate geometry to two equivalent Fe(2) and four equivalent Pd(1) atoms.