data_K2HfAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   7.66
_cell_angle_alpha   155.6
_cell_angle_beta   128.8
_cell_angle_gamma   57.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfAl
_chemical_formula_sum   'K2 Hf1 Al1'
_cell_volume   144.0
_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  0.29  1.0
  K  K3  1  0.62  0.0  0.87  1.0
  Hf  Hf1  1  0.0  0.31  0.6  1.0
  Al  Al0  1  0.0  0.0  0.12  1.0

data_K2HfAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   6.62
_cell_length_c   7.66
_cell_angle_alpha   115.6
_cell_angle_beta   102.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfAl
_chemical_formula_sum   'K2 Hf1 Al1'
_cell_volume   144.0
_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  0.71  0.71  0.71  1.0
  K  K1  1  0.75  0.13  0.75  1.0
  Hf  Hf2  1  0.4  0.71  0.71  1.0
  Al  Al3  1  0.88  0.88  0.88  1.0

K K Hf Al