data_K2LiHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   13.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiHf
_chemical_formula_sum   'K2 Li1 Hf1'
_cell_volume   134.67
_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  0.0  0.0  0.42  1.0
  K  K2  1  0.82  0.0  0.37  1.0
  Li  Li3  1  0.0  0.0  0.08  1.0
  Hf  Hf0  1  0.82  0.0  0.71  1.0

data_K2LiHf
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   13.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiHf
_chemical_formula_sum   'K2 Li1 Hf1'
_cell_volume   134.67
_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  0.0  0.0  0.42  1.0
  K  K1  1  0.82  0.0  0.37  1.0
  Li  Li2  1  0.0  0.0  0.08  1.0
  Hf  Hf3  1  0.82  0.0  0.71  1.0

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