data_InFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   129.74
_cell_angle_beta   129.74
_cell_angle_gamma   73.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2Pd
_chemical_formula_sum   'In1 Fe2 Pd1'
_cell_volume   59.77
_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
  In  In2  1  0.99  0.0  0.88  1.0
  Fe  Fe0  1  0.0  0.99  0.88  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.76  1.0

data_InFe2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   126.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InFe2Pd
_chemical_formula_sum   'In2 Fe4 Pd2'
_cell_volume   119.54
_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
  In  In0  2  0.0  0.0  0.88  1.0
  Fe  Fe1  2  0.0  0.0  0.88  1.0
  Fe  Fe2  2  0.5  0.5  0.0  1.0
  Pd  Pd3  2  0.5  0.5  0.76  1.0

In Fe Fe Pd
In Fe Fe Pd 0 1 + - o 0 2 + o + 0 3 + o o 1 2 o + + 1 3 o + o 
Fe2PdIn is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Fe2PdIn cluster. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(2), one Pd(1), and one In(1) atom. The Fe(1)-Fe(2) bond length is 0.56 Å. The Fe(1)-Pd(1) bond length is 0.59 Å. The Fe(1)-In(1) bond length is 0.03 Å. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one Fe(1) and one In(1) atom. The Fe(2)-In(1) bond length is 0.56 Å. Pd(1) is bonded in a 2-coordinate geometry to one Fe(1) and one In(1) atom. The Pd(1)-In(1) bond length is 0.59 Å. In(1) is bonded in a single-bond geometry to one Fe(1), one Fe(2), and one Pd(1) atom.