data_V2PdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   144.64
_cell_angle_beta   128.92
_cell_angle_gamma   63.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PdBr
_chemical_formula_sum   'V2 Pd1 Br1'
_cell_volume   61.5
_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  V2  1  0.57  0.0  0.05  1.0
  V  V3  1  0.0  0.23  0.34  1.0
  Pd  Pd1  1  0.0  0.0  0.39  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_V2PdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.46
_cell_length_c   5.17
_cell_angle_alpha   115.54
_cell_angle_beta   107.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PdBr
_chemical_formula_sum   'V2 Pd1 Br1'
_cell_volume   61.5
_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  V0  1  0.52  0.95  0.52  1.0
  V  V1  1  0.66  0.88  0.88  1.0
  Pd  Pd2  1  0.61  0.61  0.61  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

V V Pd Br
V2PdBr crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 3-coordinate geometry to two equivalent Pd(1) and one Br(1) atom. There is one shorter (1.77 Å) and one longer (2.76 Å) V(1)-Pd(1) bond length. The V(1)-Br(1) bond length is 2.80 Å. In the second V site, V(2) is bonded in a 3-coordinate geometry to one Pd(1) and two equivalent Br(1) atoms. The V(2)-Pd(1) bond length is 1.39 Å. There is one shorter (1.07 Å) and one longer (2.31 Å) V(2)-Br(1) bond length. Pd(1) is bonded in a 2-coordinate geometry to one V(2) and two equivalent V(1) atoms. Br(1) is bonded in a distorted single-bond geometry to one V(1) and two equivalent V(2) atoms.