data_KLi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.54
_cell_length_b   4.73
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi
_chemical_formula_sum   'K4 Li4'
_cell_volume   375.64
_cell_formula_units_Z   4
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  0.87  0.55  0.7  1.0
  K  K1  1  0.4  0.18  0.93  1.0
  K  K2  1  0.14  0.55  0.6  1.0
  K  K3  1  0.67  0.18  0.83  1.0
  Li  Li4  1  0.34  0.55  0.95  1.0
  Li  Li5  1  0.93  0.18  0.71  1.0
  Li  Li6  1  0.61  0.55  0.82  1.0
  Li  Li7  1  0.2  0.18  0.59  1.0

data_KLi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.73
_cell_length_b   7.53
_cell_length_c   10.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KLi
_chemical_formula_sum   'K4 Li4'
_cell_volume   375.64
_cell_formula_units_Z   4
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  0.18  0.33  0.87  1.0
  K  K1  2  0.18  0.43  0.6  1.0
  Li  Li2  2  0.18  0.55  0.34  1.0
  Li  Li3  2  0.18  0.68  0.07  1.0

K K K K Li Li Li Li