data_Hf2PPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   142.82
_cell_angle_beta   137.0
_cell_angle_gamma   58.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PPd
_chemical_formula_sum   'Hf2 P1 Pd1'
_cell_volume   70.68
_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
  Hf  Hf0  1  0.0  0.0  0.65  1.0
  Hf  Hf1  1  0.78  0.0  0.46  1.0
  P  P2  1  0.0  0.0  0.12  1.0
  Pd  Pd3  1  0.0  0.04  0.25  1.0

data_Hf2PPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.08
_cell_length_c   5.57
_cell_angle_alpha   111.5
_cell_angle_beta   108.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PPd
_chemical_formula_sum   'Hf2 P1 Pd1'
_cell_volume   70.68
_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
  Hf  Hf0  1  0.31  0.54  0.31  1.0
  Hf  Hf1  1  0.35  0.35  0.35  1.0
  P  P2  1  0.88  0.88  0.88  1.0
  Pd  Pd3  1  0.75  0.79  0.79  1.0

Hf Hf P Pd