data_Mg(ZnSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   5.23
_cell_angle_alpha   97.08
_cell_angle_beta   97.08
_cell_angle_gamma   35.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(ZnSe)2
_chemical_formula_sum   'Mg1 Zn2 Se2'
_cell_volume   114.99
_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  0.0  1.0
  Zn  Zn3  1  0.52  0.0  0.37  1.0
  Zn  Zn4  1  0.54  0.0  0.81  1.0
  Se  Se1  1  0.36  0.0  0.2  1.0
  Se  Se2  1  0.69  0.0  0.98  1.0

data_Mg(ZnSe)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.23
_cell_length_c   6.16
_cell_angle_alpha   97.08
_cell_angle_beta   107.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(ZnSe)2
_chemical_formula_sum   'Mg1 Zn2 Se2'
_cell_volume   114.99
_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  0.0  1.0
  Zn  Zn1  1  0.0  0.37  0.52  1.0
  Zn  Zn2  1  0.0  0.81  0.54  1.0
  Se  Se3  1  0.0  0.2  0.36  1.0
  Se  Se4  1  0.0  0.98  0.69  1.0

Mg Zn Zn Se Se
Mg(ZnSe)2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg(ZnSe)2 cluster. Mg(1) is bonded in a bent 150 degrees geometry to one Se(1) and one Se(2) atom. The Mg(1)-Se(1) bond length is 2.36 Å. The Mg(1)-Se(2) bond length is 1.88 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one Se(1) atom. The Zn(1)-Se(1) bond length is 1.24 Å. In the second Zn site, Zn(2) is bonded in a distorted single-bond geometry to one Se(2) atom. The Zn(2)-Se(2) bond length is 1.24 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 1-coordinate geometry to one Mg(1) and one Zn(1) atom. In the second Se site, Se(2) is bonded in a 2-coordinate geometry to one Mg(1) and one Zn(2) atom.