data_HfPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   4.15
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPd2
_chemical_formula_sum   'Hf4 Pd8'
_cell_volume   203.65
_cell_formula_units_Z   4
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  0.93  0.04  0.68  1.0
  Hf  Hf1  1  0.92  0.12  0.38  1.0
  Hf  Hf2  1  0.78  0.04  0.21  1.0
  Hf  Hf3  1  0.78  0.12  0.91  1.0
  Pd  Pd4  1  0.6  0.04  0.01  1.0
  Pd  Pd5  1  0.86  0.04  0.92  1.0
  Pd  Pd6  1  0.99  0.12  0.63  1.0
  Pd  Pd7  1  0.25  0.12  0.3  1.0
  Pd  Pd8  1  0.46  0.04  0.29  1.0
  Pd  Pd9  1  0.71  0.04  0.96  1.0
  Pd  Pd10  1  0.85  0.12  0.67  1.0
  Pd  Pd11  1  0.1  0.12  0.58  1.0

data_HfPd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.15
_cell_length_b   5.71
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfPd2
_chemical_formula_sum   'Hf4 Pd8'
_cell_volume   203.65
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.46  0.08  0.88  1.0
  Hf  Hf1  2  0.46  0.93  0.41  1.0
  Pd  Pd2  2  0.46  0.01  0.13  1.0
  Pd  Pd3  2  0.46  0.6  0.49  1.0
  Pd  Pd4  2  0.46  0.75  0.21  1.0
  Pd  Pd5  2  0.46  0.86  0.17  1.0

Hf Hf Hf Hf Pd Pd Pd Pd Pd Pd Pd Pd