data_KLi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   7.54
_cell_angle_alpha   147.16
_cell_angle_beta   129.21
_cell_angle_gamma   61.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi
_chemical_formula_sum   'K2 Li2'
_cell_volume   178.65
_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  0.13  0.38  0.12  1.0
  K  K1  1  0.0  0.85  0.35  1.0
  Li  Li2  1  0.0  0.62  0.3  1.0
  Li  Li3  1  0.13  0.62  0.17  1.0

data_KLi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.27
_cell_length_b   6.47
_cell_length_c   7.54
_cell_angle_alpha   115.39
_cell_angle_beta   106.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KLi
_chemical_formula_sum   'K2 Li2'
_cell_volume   178.65
_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  0.32  0.12  0.05  1.0
  Li  Li1  2  0.37  0.93  0.87  1.0

K K Li Li