data_KNa2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   144.04
_cell_angle_beta   129.35
_cell_angle_gamma   63.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Al
_chemical_formula_sum   'K1 Na2 Al1'
_cell_volume   135.37
_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  0.87  0.83  1.0
  Na  Na2  1  0.0  0.0  0.02  1.0
  Na  Na3  1  0.07  0.0  0.87  1.0
  Al  Al0  1  0.0  0.0  0.67  1.0

data_KNa2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   5.74
_cell_length_c   6.71
_cell_angle_alpha   115.33
_cell_angle_beta   107.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Al
_chemical_formula_sum   'K1 Na2 Al1'
_cell_volume   135.37
_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  0.17  0.04  0.04  1.0
  Na  Na1  1  0.2  0.13  0.2  1.0
  Na  Na2  1  0.98  0.98  0.98  1.0
  Al  Al3  1  0.33  0.33  0.33  1.0

K Na Na Al
K Na Na Al 0 1 o + + 0 2 o + o 2 3 o o o 