data_KNa2Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   5.87
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Hf
_chemical_formula_sum   'K1 Na2 Hf1'
_cell_volume   131.66
_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  0.0  0.0  0.46  1.0
  Na  Na2  1  0.54  0.94  0.06  1.0
  Na  Na3  1  0.0  0.0  0.98  1.0
  Hf  Hf0  1  0.54  0.94  0.45  1.0

data_KNa2Hf
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.87
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Hf
_chemical_formula_sum   'K1 Na2 Hf1'
_cell_volume   131.66
_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  0.0  0.0  0.46  1.0
  Na  Na1  1  0.0  0.0  0.98  1.0
  Na  Na2  1  0.54  0.94  0.06  1.0
  Hf  Hf3  1  0.54  0.94  0.45  1.0

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