data_Zn2GaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GaCl
_chemical_formula_sum   'Zn2 Ga1 Cl1'
_cell_volume   75.61
_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
  Zn  Zn2  1  0.62  0.62  0.27  1.0
  Zn  Zn3  1  0.62  0.62  0.89  1.0
  Ga  Ga1  1  0.0  0.0  0.58  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zn2GaCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2GaCl
_chemical_formula_sum   'Zn4 Ga2 Cl2'
_cell_volume   151.22
_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
  Zn  Zn0  2  0.12  0.5  0.27  1.0
  Zn  Zn1  2  0.12  0.5  0.89  1.0
  Ga  Ga2  2  0.0  0.0  0.58  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Zn Zn Ga Cl
Zn Zn Ga Cl 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o + o 0 2 + o o 0 2 + + o 0 2 o o o 0 0 + o o 0 0 o + o 0 1 o o - 1 3 + + + 1 2 + + o 1 2 + o o 1 2 o + o 1 2 o o o 2 2 + o o 2 2 o + o 2 3 o o + 
Zn2GaCl crystallizes in the monoclinic Cm space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 1-coordinate geometry to one Ga(1) and one Cl(1) atom. The Zn(1)-Ga(1) bond length is 2.83 Å. The Zn(1)-Cl(1) bond length is 2.57 Å. In the second Zn site, Zn(2) is bonded in a 3-coordinate geometry to one Ga(1) and three equivalent Cl(1) atoms. The Zn(2)-Ga(1) bond length is 2.83 Å. There is one shorter (1.89 Å) and two longer (2.49 Å) Zn(2)-Cl(1) bond lengths. Ga(1) is bonded in a distorted water-like geometry to one Zn(1) and one Zn(2) atom. Cl(1) is bonded in a 1-coordinate geometry to one Zn(1) and three equivalent Zn(2) atoms.