data_K2HfCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   4.18
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfCl
_chemical_formula_sum   'K2 Hf1 Cl1'
_cell_volume   152.39
_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  K2  1  0.0  0.0  0.12  1.0
  K  K3  1  0.93  0.09  0.37  1.0
  Hf  Hf1  1  0.93  0.09  0.15  1.0
  Cl  Cl0  1  0.0  0.0  0.5  1.0

data_K2HfCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.18
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfCl
_chemical_formula_sum   'K2 Hf1 Cl1'
_cell_volume   152.39
_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  0.12  1.0
  K  K1  1  0.93  0.09  0.37  1.0
  Hf  Hf2  1  0.93  0.09  0.15  1.0
  Cl  Cl3  1  0.0  0.0  0.5  1.0

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