data_CaGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.98
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa3
_chemical_formula_sum   'Ca1 Ga3'
_cell_volume   116.01
_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
  Ga  Ga1  1  0.91  0.99  0.35  1.0
  Ga  Ga2  1  0.0  0.0  0.82  1.0
  Ga  Ga3  1  0.91  0.99  0.28  1.0

data_CaGa3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.82
_cell_length_b   3.98
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaGa3
_chemical_formula_sum   'Ca1 Ga3'
_cell_volume   116.01
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ga  Ga1  1  0.0  0.0  0.82  1.0
  Ga  Ga2  1  0.91  0.0  0.28  1.0
  Ga  Ga3  1  0.91  0.0  0.35  1.0

Ca Ga Ga Ga
CaGa3 is Cyanogen Chloride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaGa3 cluster. Ca(1) is bonded in a linear geometry to one Ga(2) and one Ga(3) atom. The Ca(1)-Ga(2) bond length is 1.40 Å. The Ca(1)-Ga(3) bond length is 2.20 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one Ga(3) atom. The Ga(1)-Ga(3) bond length is 0.48 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Ca(1) atom. In the third Ga site, Ga(3) is bonded in a linear geometry to one Ca(1) and one Ga(1) atom.