data_MgZn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   145.11
_cell_angle_beta   118.0
_cell_angle_gamma   73.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Cl
_chemical_formula_sum   'Mg1 Zn2 Cl1'
_cell_volume   86.24
_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
  Mg  Mg1  1  0.0  0.0  0.3  1.0
  Zn  Zn2  1  0.67  0.0  0.04  1.0
  Zn  Zn3  1  0.0  0.0  0.98  1.0
  Cl  Cl0  1  0.67  0.0  0.11  1.0

data_MgZn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   62.0
_cell_angle_beta   72.56
_cell_angle_gamma   72.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Cl
_chemical_formula_sum   'Mg1 Zn2 Cl1'
_cell_volume   86.24
_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
  Mg  Mg0  1  0.0  -0.0  0.3  1.0
  Zn  Zn1  1  0.0  0.0  0.98  1.0
  Zn  Zn2  1  0.0  0.33  0.04  1.0
  Cl  Cl3  1  0.0  0.33  0.11  1.0

Mg Zn Zn Cl
Mg Zn Zn Cl 0 3 - o o 0 1 - o o 0 2 o o - 1 3 o o o 1 2 + o - 
MgZn2Cl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgZn2Cl cluster. Mg(1) is bonded in a 2-coordinate geometry to one Zn(2) and one Cl(1) atom. The Mg(1)-Zn(2) bond length is 1.79 Å. The Mg(1)-Cl(1) bond length is 1.62 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Cl(1) atom. The Zn(1)-Cl(1) bond length is 0.38 Å. In the second Zn site, Zn(2) is bonded in a distorted single-bond geometry to one Mg(1) atom. Cl(1) is bonded in a single-bond geometry to one Mg(1) and one Zn(1) atom.