data_CaV2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaV2Ga
_chemical_formula_sum   'Ca1 V2 Ga1'
_cell_volume   76.7
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.11  0.0  0.14  1.0
  V  V3  1  0.0  0.11  0.14  1.0
  Ga  Ga1  1  0.11  0.11  0.0  1.0

data_CaV2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaV2Ga
_chemical_formula_sum   'Ca2 V4 Ga2'
_cell_volume   153.4
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  V  V1  4  0.06  0.06  0.14  1.0
  Ga  Ga2  2  0.11  0.0  0.0  1.0

Ca V V Ga
Ca V V Ga 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
CaV2Ga is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaV2Ga clusters. Ca(1) is bonded in a 3-coordinate geometry to two equivalent V(1) and one Ga(1) atom. Both Ca(1)-V(1) bond lengths are 0.79 Å. The Ca(1)-Ga(1) bond length is 0.68 Å. V(1) is bonded in a 3-coordinate geometry to one Ca(1), one V(1), and one Ga(1) atom. The V(1)-V(1) bond length is 0.68 Å. The V(1)-Ga(1) bond length is 0.79 Å. Ga(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent V(1) atoms.