data_Ga3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Pd4
_chemical_formula_sum   'Ga3 Pd4'
_cell_volume   109.04
_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  Ga0  1  0.25  0.16  0.53  1.0
  Ga  Ga1  1  0.5  0.0  0.53  1.0
  Ga  Ga2  1  0.75  0.16  0.53  1.0
  Pd  Pd3  1  0.0  0.0  0.8  1.0
  Pd  Pd4  1  0.0  0.0  0.25  1.0
  Pd  Pd5  1  0.0  0.88  0.0  1.0
  Pd  Pd6  1  0.5  0.44  0.0  1.0

data_Ga3Pd4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Pd4
_chemical_formula_sum   'Ga3 Pd4'
_cell_volume   109.04
_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  Ga0  1  0.25  0.16  0.53  1.0
  Ga  Ga1  1  0.5  0.0  0.53  1.0
  Ga  Ga2  1  0.75  0.16  0.53  1.0
  Pd  Pd3  1  0.0  0.0  0.25  1.0
  Pd  Pd4  1  0.0  0.0  0.8  1.0
  Pd  Pd5  1  0.0  0.88  0.0  1.0
  Pd  Pd6  1  0.5  0.44  0.0  1.0

Ga Ga Ga Pd Pd Pd Pd
Ga Ga Ga Pd Pd Pd Pd 0 4 o o o 0 3 o o o 0 1 o o o 0 6 o o + 0 6 o o o 1 2 o o o 3 5 o - + 3 6 o o + 3 6 - - + 4 5 o - o 4 6 o o o 4 6 - - o 5 6 o + o 5 6 - o o 
Pd4Ga3 crystallizes in the triclinic P1 space group. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to one Pd(3), two equivalent Pd(4), one Ga(1), and one Ga(3) atom. The Pd(1)-Pd(3) bond length is 1.15 Å. There is one shorter (2.55 Å) and one longer (2.84 Å) Pd(1)-Pd(4) bond length. The Pd(1)-Ga(1) bond length is 1.77 Å. The Pd(1)-Ga(3) bond length is 2.26 Å. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to one Pd(3), two equivalent Pd(4), one Ga(1), and one Ga(3) atom. The Pd(2)-Pd(3) bond length is 1.40 Å. There is one shorter (2.67 Å) and one longer (2.95 Å) Pd(2)-Pd(4) bond length. The Pd(2)-Ga(1) bond length is 1.77 Å. The Pd(2)-Ga(3) bond length is 2.26 Å. In the third Pd site, Pd(3) is bonded in a distorted bent 120 degrees geometry to one Pd(1), one Pd(2), and two equivalent Pd(4) atoms. There is one shorter (2.38 Å) and one longer (2.65 Å) Pd(3)-Pd(4) bond length. In the fourth Pd site, Pd(4) is bonded in a 10-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), one Ga(2), one Ga(3), and two equivalent Ga(1) atoms. The Pd(4)-Ga(2) bond length is 3.25 Å. The Pd(4)-Ga(3) bond length is 3.33 Å. There is one shorter (2.73 Å) and one longer (2.98 Å) Pd(4)-Ga(1) bond length. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to one Pd(1), one Pd(2), two equivalent Pd(4), and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.78 Å. In the second Ga site, Ga(2) is bonded in a bent 120 degrees geometry to one Pd(4), one Ga(1), and one Ga(3) atom. The Ga(2)-Ga(3) bond length is 1.12 Å. In the third Ga site, Ga(3) is bonded in a 3-coordinate geometry to one Pd(1), one Pd(2), one Pd(4), and one Ga(2) atom.