data_CaZn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Ga
_chemical_formula_sum   'Ca1 Zn2 Ga1'
_cell_volume   80.38
_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  0.46  1.0
  Zn  Zn2  1  0.0  0.0  0.04  1.0
  Zn  Zn3  1  0.7  0.7  0.37  1.0
  Ga  Ga1  1  0.7  0.7  0.57  1.0

data_CaZn2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaZn2Ga
_chemical_formula_sum   'Ca2 Zn4 Ga2'
_cell_volume   160.75
_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  0.46  1.0
  Zn  Zn1  2  0.0  0.0  0.04  1.0
  Zn  Zn2  2  0.2  0.5  0.37  1.0
  Ga  Ga3  2  0.2  0.5  0.57  1.0

Ca Zn Zn Ga
CaZn2Ga crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaZn2Ga clusters. Ca(1) is bonded in a 2-coordinate geometry to one Zn(1), one Zn(2), and one Ga(1) atom. The Ca(1)-Zn(1) bond length is 2.96 Å. The Ca(1)-Zn(2) bond length is 1.59 Å. The Ca(1)-Ga(1) bond length is 1.63 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 2.71 Å. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one Ca(1), one Zn(1), and one Ga(1) atom. The Zn(2)-Ga(1) bond length is 1.43 Å. Ga(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Zn(2) atom.