data_K2HfP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   3.52
_cell_angle_alpha   95.63
_cell_angle_beta   95.63
_cell_angle_gamma   129.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfP
_chemical_formula_sum   'K2 Hf1 P1'
_cell_volume   110.78
_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  K1  1  0.97  0.06  0.71  1.0
  K  K2  1  0.97  0.94  0.71  1.0
  Hf  Hf0  1  0.75  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_K2HfP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.5
_cell_length_c   6.5
_cell_angle_alpha   64.94
_cell_angle_beta   84.37
_cell_angle_gamma   76.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfP
_chemical_formula_sum   'K2 Hf1 P1'
_cell_volume   110.78
_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  0.29  0.94  0.03  1.0
  K  K1  1  0.29  0.06  0.91  1.0
  Hf  Hf2  1  0.0  0.0  0.75  1.0
  P  P3  1  0.0  0.0  0.0  1.0

K K Hf P