data_KAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   154.92
_cell_angle_beta   124.34
_cell_angle_gamma   61.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl3
_chemical_formula_sum   'K1 Al3'
_cell_volume   98.06
_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  K3  1  0.0  0.0  0.62  1.0
  Al  Al0  1  0.42  0.0  0.36  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.0  0.06  0.27  1.0

data_KAl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   6.12
_cell_length_c   6.56
_cell_angle_alpha   117.83
_cell_angle_beta   102.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl3
_chemical_formula_sum   'K1 Al3'
_cell_volume   98.06
_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  0.38  0.38  0.38  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.07  0.64  0.07  1.0
  Al  Al3  1  0.73  0.8  0.8  1.0

K Al Al Al
KAl3 crystallizes in the triclinic P1 space group. K(1) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), and one Al(3) atom. The K(1)-Al(1) bond length is 3.14 Å. The K(1)-Al(2) bond length is 2.47 Å. The K(1)-Al(3) bond length is 2.72 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one K(1), one Al(2), one Al(3), and two equivalent Al(1) atoms. The Al(1)-Al(2) bond length is 2.42 Å. The Al(1)-Al(3) bond length is 2.40 Å. Both Al(1)-Al(1) bond lengths are 2.85 Å. In the second Al site, Al(2) is bonded in a distorted linear geometry to one K(1), one Al(1), and one Al(3) atom. The Al(2)-Al(3) bond length is 1.38 Å. In the third Al site, Al(3) is bonded in a distorted linear geometry to one K(1), one Al(1), and one Al(2) atom.