data_[K2Li2Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5322]
_cell_length_b [4.5322]
_cell_length_c [11.7086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [KLiAl]
_chemical_formula_sum '[K2 Li2 Al2]'
_cell_volume [208.2809]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.4432  1
  K  K1  1  0.6667  0.3333  0.7918  1
  Li  Li2  1  0.3333  0.6667  0.2205  1
  Li  Li3  1  0.6667  0.3333  0.1029  1
  Al  Al4  1  0.0000  0.0000  0.0496  1
  Al  Al5  1  0.3333  0.6667  0.9965  1
]