data_KHfPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   121.07
_cell_angle_beta   119.37
_cell_angle_gamma   89.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfPd2
_chemical_formula_sum   'K1 Hf1 Pd2'
_cell_volume   81.29
_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  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.0  0.45  1.0
  Pd  Pd2  1  0.0  0.46  0.69  1.0
  Pd  Pd3  1  0.39  0.0  0.76  1.0

data_KHfPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   60.63
_cell_angle_beta   60.53
_cell_angle_gamma   60.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfPd2
_chemical_formula_sum   'K1 Hf1 Pd2'
_cell_volume   81.29
_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  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.45  1.0
  Pd  Pd2  1  0.0  0.61  0.76  1.0
  Pd  Pd3  1  0.46  0.0  0.23  1.0

K Hf Pd Pd