data_ZnTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58
_cell_length_b   8.58
_cell_length_c   8.58
_cell_angle_alpha   152.73
_cell_angle_beta   152.73
_cell_angle_gamma   38.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe2Se
_chemical_formula_sum   'Zn1 Te2 Se1'
_cell_volume   132.31
_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  Zn3  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.02  0.04  1.0
  Te  Te2  1  0.02  0.0  0.04  1.0
  Se  Se0  1  0.0  0.0  0.09  1.0

data_ZnTe2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   8.58
_cell_angle_alpha   90.0
_cell_angle_beta   109.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnTe2Se
_chemical_formula_sum   'Zn2 Te4 Se2'
_cell_volume   264.63
_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  0.0  0.0  0.0  1.0
  Te  Te1  4  0.03  0.01  0.02  1.0
  Se  Se2  2  0.09  0.0  0.09  1.0

Zn Te Te Se
Zn Te Te Se 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
ZnTe2Se is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZnTe2Se clusters. Zn(1) is bonded in a 2-coordinate geometry to two equivalent Te(1) atoms. Both Zn(1)-Te(1) bond lengths are 0.23 Å. Te(1) is bonded in a distorted single-bond geometry to one Zn(1), one Te(1), and one Se(1) atom. The Te(1)-Te(1) bond length is 0.13 Å. The Te(1)-Se(1) bond length is 0.56 Å. Se(1) is bonded in a 2-coordinate geometry to two equivalent Te(1) atoms.