data_VCd2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.4
_cell_angle_alpha   101.65
_cell_angle_beta   101.65
_cell_angle_gamma   34.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCd2Ga
_chemical_formula_sum   'V1 Cd2 Ga1'
_cell_volume   76.08
_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  0.01  0.0  0.43  1.0
  Cd  Cd0  1  0.05  0.0  0.03  1.0
  Cd  Cd1  1  0.48  0.0  0.97  1.0
  Ga  Ga2  1  0.22  0.0  0.48  1.0

data_VCd2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.05
_cell_length_c   5.4
_cell_angle_alpha   101.65
_cell_angle_beta   90.0
_cell_angle_gamma   107.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCd2Ga
_chemical_formula_sum   'V1 Cd2 Ga1'
_cell_volume   76.08
_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  0.0  0.99  0.57  1.0
  Cd  Cd1  1  0.0  0.52  0.03  1.0
  Cd  Cd2  1  0.0  0.95  0.97  1.0
  Ga  Ga3  1  0.0  0.78  0.52  1.0

V Cd Cd Ga
V Cd Cd Ga 0 3 o o o 0 1 o o o 1 2 o o - 1 2 - o - 1 3 o o o 2 3 o o o 
VCd2Ga crystallizes in the triclinic P1 space group. V(1) is bonded in a single-bond geometry to two equivalent Cd(1) and one Ga(1) atom. There is one shorter (2.22 Å) and one longer (3.19 Å) V(1)-Cd(1) bond length. The V(1)-Ga(1) bond length is 1.03 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 7-coordinate geometry to two equivalent V(1), two equivalent Cd(1), two equivalent Cd(2), and one Ga(1) atom. Both Cd(1)-Cd(1) bond lengths are 2.99 Å. There is one shorter (2.24 Å) and one longer (2.84 Å) Cd(1)-Cd(2) bond length. The Cd(1)-Ga(1) bond length is 2.39 Å. In the second Cd site, Cd(2) is bonded in a 2-coordinate geometry to two equivalent Cd(1) and one Ga(1) atom. The Cd(2)-Ga(1) bond length is 2.73 Å. Ga(1) is bonded in a single-bond geometry to one V(1), one Cd(1), and one Cd(2) atom.