data_KHfPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   5.81
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfPb2
_chemical_formula_sum   'K1 Hf1 Pb2'
_cell_volume   115.11
_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  0.96  0.0  0.02  1.0
  Hf  Hf0  1  0.83  0.9  0.22  1.0
  Pb  Pb2  1  0.73  0.9  0.18  1.0
  Pb  Pb3  1  0.8  0.0  0.13  1.0

data_KHfPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.81
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfPb2
_chemical_formula_sum   'K1 Hf1 Pb2'
_cell_volume   115.11
_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  0.96  0.0  0.02  1.0
  Hf  Hf1  1  0.83  0.9  0.22  1.0
  Pb  Pb2  1  0.73  0.9  0.18  1.0
  Pb  Pb3  1  0.8  0.0  0.13  1.0

K Hf Pb Pb