data_K2Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14
_cell_length_b   8.14
_cell_length_c   10.16
_cell_angle_alpha   106.39
_cell_angle_beta   106.39
_cell_angle_gamma   23.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Hf
_chemical_formula_sum   'K4 Hf2'
_cell_volume   259.0
_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  K2  1  0.43  0.0  0.5  1.0
  K  K3  1  0.39  0.0  0.72  1.0
  K  K4  1  0.39  0.0  0.87  1.0
  K  K5  1  0.62  0.0  0.43  1.0
  Hf  Hf0  1  0.17  0.0  0.49  1.0
  Hf  Hf1  1  0.21  0.0  0.57  1.0

data_K2Hf
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   8.14
_cell_length_c   10.16
_cell_angle_alpha   106.39
_cell_angle_beta   90.0
_cell_angle_gamma   101.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Hf
_chemical_formula_sum   'K4 Hf2'
_cell_volume   259.0
_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  0.0  0.38  0.57  1.0
  K  K1  1  0.0  0.57  0.5  1.0
  K  K2  1  0.0  0.61  0.28  1.0
  K  K3  1  0.0  0.61  0.13  1.0
  Hf  Hf4  1  0.0  0.79  0.43  1.0
  Hf  Hf5  1  0.0  0.83  0.51  1.0

K K K K Hf Hf
K K K K Hf Hf 0 5 o o o 0 4 o o o 0 3 o o o 1 2 o o o 4 5 o o o 