data_KAlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   145.17
_cell_angle_beta   102.89
_cell_angle_gamma   87.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlSe2
_chemical_formula_sum   'K1 Al1 Se2'
_cell_volume   121.79
_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  0.4  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.82  0.0  0.67  1.0
  Se  Se3  1  0.0  0.8  0.73  1.0

data_KAlSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   77.11
_cell_angle_beta   72.59
_cell_angle_gamma   72.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlSe2
_chemical_formula_sum   'K1 Al1 Se2'
_cell_volume   121.79
_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  K0  1  0.0  0.0  0.4  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.18  0.67  1.0
  Se  Se3  1  0.8  0.0  0.94  1.0

K Al Se Se
KAlSe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KAlSe2 cluster. K(1) is bonded in a 2-coordinate geometry to one Al(1) and one Se(1) atom. The K(1)-Al(1) bond length is 2.44 Å. The K(1)-Se(1) bond length is 2.14 Å. Al(1) is bonded in a distorted single-bond geometry to one K(1) and one Se(2) atom. The Al(1)-Se(2) bond length is 0.93 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to one K(1) atom. In the second Se site, Se(2) is bonded in a single-bond geometry to one Al(1) atom.