data_K2HfPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfPb
_chemical_formula_sum   'K2 Hf1 Pb1'
_cell_volume   134.68
_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  0.57  0.12  0.72  1.0
  K  K2  1  0.57  0.88  0.72  1.0
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.14  0.0  0.0  1.0

data_K2HfPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   6.27
_cell_length_c   6.99
_cell_angle_alpha   116.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfPb
_chemical_formula_sum   'K2 Hf1 Pb1'
_cell_volume   134.68
_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  0.72  0.12  0.69  1.0
  K  K1  1  0.72  0.88  0.44  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.14  1.0

K K Hf Pb
K K Hf Pb 0 1 o - o 2 3 o o o 