data_GaFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66
_cell_length_b   8.66
_cell_length_c   8.66
_cell_angle_alpha   18.13
_cell_angle_beta   18.13
_cell_angle_gamma   18.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Pd
_chemical_formula_sum   'Ga1 Fe2 Pd1'
_cell_volume   54.96
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.43  1.0
  Fe  Fe1  1  0.0  0.0  0.13  1.0
  Pd  Pd3  1  0.0  0.0  0.78  1.0

data_GaFe2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   2.73
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   100.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaFe2Pd
_chemical_formula_sum   'Ga2 Fe4 Pd2'
_cell_volume   109.93
_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
  Ga  Ga0  2  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.57  1.0
  Fe  Fe2  2  0.0  0.0  0.87  1.0
  Pd  Pd3  2  0.0  0.0  0.22  1.0

Ga Fe Fe Pd
Ga Fe Fe Pd 0 2 o o o 0 3 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o o 
Fe2PdGa crystallizes in the monoclinic Cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Fe(2), six equivalent Fe(1), and one Pd(1) atom to form a mixture of distorted edge and corner-sharing FeFe7Pd hexagonal bipyramids. The Fe(1)-Fe(2) bond length is 2.59 Å. All Fe(1)-Fe(1) bond lengths are 2.73 Å. The Fe(1)-Pd(1) bond length is 3.04 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(1) and one Ga(1) atom. The Fe(2)-Ga(1) bond length is 1.10 Å. Pd(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Ga(1) atom. The Pd(1)-Ga(1) bond length is 1.94 Å. Ga(1) is bonded in a linear geometry to one Fe(2) and one Pd(1) atom.