data_KAuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77
_cell_length_b   7.77
_cell_length_c   7.77
_cell_angle_alpha   30.71
_cell_angle_beta   30.71
_cell_angle_gamma   30.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAuSe2
_chemical_formula_sum   'K1 Au1 Se2'
_cell_volume   108.68
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.1  1.0
  Se  Se2  1  0.0  0.0  0.19  1.0
  Se  Se3  1  0.0  0.0  0.01  1.0

data_KAuSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.13
_cell_length_b   4.12
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   107.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KAuSe2
_chemical_formula_sum   'K2 Au2 Se4'
_cell_volume   217.36
_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
  K  K0  2  0.0  0.0  0.0  1.0
  Au  Au1  2  -0.0  0.0  0.9  1.0
  Se  Se2  2  -0.0  0.0  0.81  1.0
  Se  Se3  2  -0.0  0.0  0.99  1.0

K Au Se Se
KAuSe2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KAuSe2 clusters. K(1) is bonded in a single-bond geometry to one Se(2) atom. The K(1)-Se(2) bond length is 0.11 Å. Au(1) is bonded in a linear geometry to one Se(1) and one Se(2) atom. The Au(1)-Se(1) bond length is 0.69 Å. The Au(1)-Se(2) bond length is 0.69 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a single-bond geometry to one Au(1) atom. In the second Se site, Se(2) is bonded in a single-bond geometry to one K(1) and one Au(1) atom.