data_K2HfFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   131.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfFe
_chemical_formula_sum   'K2 Hf1 Fe1'
_cell_volume   102.34
_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  0.38  0.94  0.51  1.0
  K  K3  1  0.38  0.06  0.51  1.0
  Hf  Hf1  1  0.77  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_K2HfFe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.54
_cell_length_b   3.02
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   114.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2HfFe
_chemical_formula_sum   'K2 Hf1 Fe1'
_cell_volume   102.34
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.06  0.5  0.67  1.0
  K  K1  1  0.94  0.5  0.56  1.0
  Hf  Hf2  1  0.0  0.0  0.23  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

K K Hf Fe