data_KLi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   9.57
_cell_angle_alpha   107.74
_cell_angle_beta   107.74
_cell_angle_gamma   35.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2
_chemical_formula_sum   'K2 Li4'
_cell_volume   214.93
_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  0.48  0.0  0.83  1.0
  K  K1  1  0.56  0.0  0.23  1.0
  Li  Li2  1  0.83  0.0  0.03  1.0
  Li  Li3  1  0.27  0.0  0.81  1.0
  Li  Li4  1  0.77  0.0  0.26  1.0
  Li  Li5  1  0.22  0.0  0.04  1.0

data_KLi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.91
_cell_length_b   6.36
_cell_length_c   9.57
_cell_angle_alpha   107.74
_cell_angle_beta   90.0
_cell_angle_gamma   107.92
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KLi2
_chemical_formula_sum   'K2 Li4'
_cell_volume   214.93
_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  0.0  0.04  0.7  1.0
  Li  Li1  2  0.0  0.25  0.73  1.0
  Li  Li2  2  0.0  0.3  0.5  1.0

K K Li Li Li Li
K K Li Li Li Li 0 3 o o o 0 2 o o + 1 4 o o o 1 5 o o o 2 4 o o o 2 5 + o o 3 5 o o + 