data_CaMgZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   11.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgZn2
_chemical_formula_sum   'Ca2 Mg2 Zn4'
_cell_volume   182.93
_cell_formula_units_Z   2
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  0.04  0.0  0.3  1.0
  Ca  Ca1  1  0.0  0.04  0.74  1.0
  Mg  Mg2  1  0.04  0.0  0.2  1.0
  Mg  Mg3  1  0.0  0.04  0.84  1.0
  Zn  Zn4  1  0.04  0.0  0.33  1.0
  Zn  Zn5  1  0.0  0.04  0.71  1.0
  Zn  Zn6  1  0.0  0.0  0.0  1.0
  Zn  Zn7  1  0.04  0.04  0.0  1.0

data_CaMgZn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   11.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMgZn2
_chemical_formula_sum   'Ca4 Mg4 Zn8'
_cell_volume   365.85
_cell_formula_units_Z   4
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  0.74  1.0
  Ca  Ca1  2  0.04  0.0  0.3  1.0
  Mg  Mg2  2  0.0  0.0  0.84  1.0
  Mg  Mg3  2  0.04  0.0  0.2  1.0
  Zn  Zn4  4  0.02  0.02  0.0  1.0
  Zn  Zn5  2  0.0  0.0  0.71  1.0
  Zn  Zn6  2  0.04  0.0  0.33  1.0

Ca Ca Mg Mg Zn Zn Zn Zn
Ca Ca Mg Mg Zn Zn Zn Zn 0 4 o o o 0 2 o o o 1 5 o o o 1 3 o o o 6 7 o o o 
MgZnCaCaMgZn3 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaMgZn3 clusters and two MgZnCa clusters. In each CaMgZn3 cluster, Ca(2) is bonded in a linear geometry to one Mg(2) and one Zn(2) atom. The Ca(2)-Mg(2) bond length is 1.14 Å. The Ca(2)-Zn(2) bond length is 0.30 Å. Mg(2) is bonded in a distorted single-bond geometry to one Ca(2) and two equivalent Zn(3) atoms. Both Mg(2)-Zn(3) bond lengths are 1.76 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(3) is bonded in a distorted single-bond geometry to one Mg(2) and one Zn(3) atom. The Zn(3)-Zn(3) bond length is 0.20 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Ca(2) atom. In each MgZnCa cluster, Ca(1) is bonded in a linear geometry to one Mg(1) and one Zn(1) atom. The Ca(1)-Mg(1) bond length is 1.14 Å. The Ca(1)-Zn(1) bond length is 0.30 Å. Mg(1) is bonded in a single-bond geometry to one Ca(1) atom. Zn(1) is bonded in a single-bond geometry to one Ca(1) atom.