data_K2HfFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   6.8
_cell_angle_alpha   151.08
_cell_angle_beta   142.79
_cell_angle_gamma   47.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfFe
_chemical_formula_sum   'K2 Hf1 Fe1'
_cell_volume   91.65
_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  0.17  0.2  1.0
  K  K3  1  0.7  0.0  0.02  1.0
  Hf  Hf1  1  0.0  0.0  0.22  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_K2HfFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.34
_cell_length_c   6.8
_cell_angle_alpha   108.6
_cell_angle_beta   104.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfFe
_chemical_formula_sum   'K2 Hf1 Fe1'
_cell_volume   91.65
_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  0.02  0.32  1.0
  K  K1  1  0.83  0.03  0.03  1.0
  Hf  Hf2  1  0.0  0.22  0.22  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

K K Hf Fe