data_VGa2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.63
_cell_length_c   8.63
_cell_angle_alpha   19.03
_cell_angle_beta   19.03
_cell_angle_gamma   19.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGa2Pd
_chemical_formula_sum   'V1 Ga2 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
  V  V3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.35  1.0
  Ga  Ga1  1  0.0  0.0  0.07  1.0
  Pd  Pd2  1  0.0  0.0  0.71  1.0

data_VGa2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   2.85
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   101.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VGa2Pd
_chemical_formula_sum   'V2 Ga4 Pd2'
_cell_volume   119.53
_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
  V  V0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.65  1.0
  Ga  Ga2  2  0.0  0.0  0.93  1.0
  Pd  Pd3  2  0.0  0.0  0.29  1.0

V Ga Ga Pd
VPdGa2 crystallizes in the monoclinic Cm space group. V(1) is bonded in a single-bond geometry to one Pd(1) and one Ga(2) atom. The V(1)-Pd(1) bond length is 2.51 Å. The V(1)-Ga(2) bond length is 0.60 Å. Pd(1) is bonded in a 1-coordinate geometry to one V(1) and one Ga(1) atom. The Pd(1)-Ga(1) bond length is 3.12 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Pd(1), one Ga(2), and six equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing GaGa7Pd hexagonal bipyramids. The Ga(1)-Ga(2) bond length is 2.40 Å. All Ga(1)-Ga(1) bond lengths are 2.85 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one V(1) and one Ga(1) atom.