data_KNbAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.76
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbAl2
_chemical_formula_sum   'K1 Nb1 Al2'
_cell_volume   95.24
_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  K2  1  0.0  0.0  0.27  1.0
  Nb  Nb3  1  0.44  0.88  0.42  1.0
  Al  Al0  1  0.0  0.0  0.05  1.0
  Al  Al1  1  0.44  0.88  0.48  1.0

data_KNbAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.76
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbAl2
_chemical_formula_sum   'K1 Nb1 Al2'
_cell_volume   95.24
_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  0.27  1.0
  Nb  Nb1  1  0.44  0.88  0.42  1.0
  Al  Al2  1  0.0  0.0  0.05  1.0
  Al  Al3  1  0.44  0.88  0.48  1.0

K Nb Al Al
K Nb Al Al 0 1 - - o 0 1 o - o 0 3 o - o 0 2 o o o 1 3 o o o 