data_CaMg2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Ga
_chemical_formula_sum   'Ca1 Mg2 Ga1'
_cell_volume   96.34
_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  0.05  1.0
  Mg  Mg2  1  0.0  0.0  0.49  1.0
  Mg  Mg3  1  0.77  0.77  0.64  1.0
  Ga  Ga1  1  0.77  0.77  0.05  1.0

data_CaMg2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMg2Ga
_chemical_formula_sum   'Ca2 Mg4 Ga2'
_cell_volume   192.68
_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  0.05  1.0
  Mg  Mg1  2  0.0  0.0  0.49  1.0
  Mg  Mg2  2  0.27  0.5  0.64  1.0
  Ga  Ga3  2  0.27  0.5  0.05  1.0

Ca Mg Mg Ga
Ca Mg Mg Ga 0 3 - - o 1 2 - - o 
(Mg)2CaGa is High Pressure Cadmuum Telluride structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two magnesiomagnesium molecules and two CaGa clusters. In each CaGa cluster, Ca(1) is bonded in a distorted single-bond geometry to one Ga(1) atom. The Ca(1)-Ga(1) bond length is 1.15 Å. Ga(1) is bonded in a distorted single-bond geometry to one Ca(1) atom.