data_ZrAlGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlGa2
_chemical_formula_sum   'Zr1 Al1 Ga2'
_cell_volume   72.69
_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
  Zr  Zr3  1  0.0  0.0  0.24  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.08  1.0
  Ga  Ga2  1  0.0  0.0  0.4  1.0

data_ZrAlGa2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.0
_cell_length_b   4.29
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   ZrAlGa2
_chemical_formula_sum   'Zr2 Al2 Ga4'
_cell_volume   145.38
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Zr  Zr0  2  0.0  0.0  0.76  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  2  0.0  0.0  0.6  1.0
  Ga  Ga3  2  0.0  0.0  0.92  1.0

Zr Al Ga Ga
Zr Al Ga Ga 0 2 o o o 0 3 o o o 1 2 o o o 
ZrGa2Al is Cyanogen Chloride-like structured and crystallizes in the orthorhombic Cmm2 space group. The structure is zero-dimensional and consists of two ZrGa2Al clusters. Zr(1) is bonded in a linear geometry to one Ga(1) and one Ga(2) atom. The Zr(1)-Ga(1) bond length is 1.36 Å. The Zr(1)-Ga(2) bond length is 1.36 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a linear geometry to one Zr(1) and one Al(1) atom. The Ga(1)-Al(1) bond length is 0.64 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Zr(1) atom. Al(1) is bonded in a single-bond geometry to one Ga(1) atom.