data_KLi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi3
_chemical_formula_sum   'K2 Li6'
_cell_volume   259.49
_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  0.42  0.91  0.4  1.0
  K  K1  1  0.42  0.09  0.2  1.0
  Li  Li2  1  0.42  0.52  0.2  1.0
  Li  Li3  1  0.42  0.48  0.4  1.0
  Li  Li4  1  1.0  0.06  0.2  1.0
  Li  Li5  1  0.84  0.94  0.4  1.0
  Li  Li6  1  0.84  0.06  0.2  1.0
  Li  Li7  1  1.0  0.94  0.4  1.0

data_KLi3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.6
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   99.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KLi3
_chemical_formula_sum   'K2 Li6'
_cell_volume   259.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.1  -0.0  0.91  1.0
  Li  Li1  2  0.1  0.0  0.48  1.0
  Li  Li2  2  0.1  0.42  0.94  1.0
  Li  Li3  2  0.1  0.58  0.94  1.0

K K Li Li Li Li Li Li