data_Ca2GaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   135.97
_cell_angle_beta   135.97
_cell_angle_gamma   64.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2GaW
_chemical_formula_sum   'Ca2 Ga1 W1'
_cell_volume   86.08
_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
  Ca  Ca0  1  0.0  0.12  0.4  1.0
  Ca  Ca1  1  0.12  0.0  0.4  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.79  1.0

data_Ca2GaW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   122.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2GaW
_chemical_formula_sum   'Ca4 Ga2 W2'
_cell_volume   172.17
_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  4  0.16  0.44  0.72  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.21  0.0  0.21  1.0

Ca Ca Ga W
Ca2WGa is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ca2WGa clusters. Ca(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Ga(1) atom. The Ca(1)-Ca(1) bond length is 0.71 Å. The Ca(1)-Ga(1) bond length is 1.82 Å. W(1) is bonded in a single-bond geometry to one Ga(1) atom. The W(1)-Ga(1) bond length is 1.17 Å. Ga(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one W(1) atom.