data_KNaLi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaLi2
_chemical_formula_sum   'K1 Na1 Li2'
_cell_volume   145.65
_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  0.28  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.06  0.06  0.96  1.0
  Li  Li2  1  0.06  0.06  0.6  1.0

data_KNaLi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNaLi2
_chemical_formula_sum   'K2 Na2 Li4'
_cell_volume   291.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.28  1.0
  Na  Na1  2  0.0  0.0  0.0  1.0
  Li  Li2  2  0.06  0.0  0.6  1.0
  Li  Li3  2  0.06  0.0  0.96  1.0

K Na Li Li
K Na Li Li 0 1 o o o 0 2 o o - 0 3 o o o 1 2 o o - 2 3 o o o 