data_AlZn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn2Cl
_chemical_formula_sum   'Al1 Zn2 Cl1'
_cell_volume   75.1
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.5  0.0  0.5  1.0
  Zn  Zn3  1  0.0  0.5  0.5  1.0
  Cl  Cl1  1  0.5  0.5  0.0  1.0

data_AlZn2Cl
_symmetry_space_group_name_H-M   P4/mmm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   123
_chemical_formula_structural   AlZn2Cl
_chemical_formula_sum   'Al1 Zn2 Cl1'
_cell_volume   75.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, 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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.0  0.5  0.5  1.0
  Cl  Cl2  1  0.5  0.5  0.0  1.0

Al Zn Zn Cl
Zn2AlCl crystallizes in the tetragonal P4mm space group. Zn(1) is bonded in a 10-coordinate geometry to two equivalent Zn(1), four equivalent Al(1), and four equivalent Cl(1) atoms. Both Zn(1)-Zn(1) bond lengths are 3.00 Å. There are two shorter (2.91 Å) and two longer (2.92 Å) Zn(1)-Al(1) bond lengths. There are two shorter (2.91 Å) and two longer (2.92 Å) Zn(1)-Cl(1) bond lengths. Al(1) is bonded in a 10-coordinate geometry to eight equivalent Zn(1) and two equivalent Al(1) atoms. Both Al(1)-Al(1) bond lengths are 3.00 Å. Cl(1) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms.