data_KLi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Cl
_chemical_formula_sum   'K1 Li2 Cl1'
_cell_volume   106.66
_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  K1  1  0.28  0.0  0.33  1.0
  Li  Li2  1  0.0  0.0  0.75  1.0
  Li  Li3  1  0.28  0.0  0.82  1.0
  Cl  Cl0  1  0.0  0.0  0.7  1.0

data_KLi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Cl
_chemical_formula_sum   'K1 Li2 Cl1'
_cell_volume   106.66
_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  0.28  0.0  0.33  1.0
  Li  Li1  1  0.0  0.0  0.75  1.0
  Li  Li2  1  0.28  0.0  0.82  1.0
  Cl  Cl3  1  0.0  0.0  0.7  1.0

K Li Li Cl
K Li Li Cl 0 0 o + o 0 0 + o o 0 3 o o o 0 3 + o o 0 1 o o o 0 2 o o - 0 2 o o o 1 3 o o o 1 2 o o o 