data_HfCo6Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   10.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo6Pd
_chemical_formula_sum   'Hf4 Co24 Pd4'
_cell_volume   402.04
_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  Hf24  1  0.68  0.44  0.23  1.0
  Hf  Hf25  1  0.68  0.56  0.23  1.0
  Hf  Hf26  1  0.68  0.0  0.8  1.0
  Hf  Hf27  1  0.68  0.0  0.66  1.0
  Co  Co0  1  0.68  0.34  0.91  1.0
  Co  Co1  1  0.8  0.66  0.18  1.0
  Co  Co2  1  0.56  0.34  0.18  1.0
  Co  Co3  1  0.68  0.66  0.91  1.0
  Co  Co4  1  0.56  0.66  0.18  1.0
  Co  Co5  1  0.8  0.34  0.18  1.0
  Co  Co6  1  0.0  0.0  0.23  1.0
  Co  Co7  1  0.58  0.28  0.58  1.0
  Co  Co8  1  0.58  0.72  0.58  1.0
  Co  Co9  1  0.68  0.34  0.55  1.0
  Co  Co10  1  0.78  0.72  0.88  1.0
  Co  Co11  1  0.58  0.28  0.88  1.0
  Co  Co12  1  0.68  0.66  0.55  1.0
  Co  Co13  1  0.58  0.72  0.88  1.0
  Co  Co14  1  0.78  0.28  0.88  1.0
  Co  Co15  1  0.0  0.0  0.0  1.0
  Co  Co16  1  0.56  0.34  0.28  1.0
  Co  Co17  1  0.56  0.66  0.28  1.0
  Co  Co18  1  0.68  0.0  0.23  1.0
  Co  Co19  1  0.78  0.28  0.58  1.0
  Co  Co20  1  0.78  0.72  0.58  1.0
  Co  Co21  1  0.68  0.0  0.0  1.0
  Co  Co22  1  0.8  0.34  0.28  1.0
  Co  Co23  1  0.8  0.66  0.28  1.0
  Pd  Pd28  1  0.68  0.45  0.0  1.0
  Pd  Pd29  1  0.68  0.55  0.0  1.0
  Pd  Pd30  1  0.0  0.0  0.88  1.0
  Pd  Pd31  1  0.0  0.0  0.59  1.0

data_HfCo6Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   10.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo6Pd
_chemical_formula_sum   'Hf4 Co24 Pd4'
_cell_volume   402.04
_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  0.68  0.0  0.66  1.0
  Hf  Hf1  1  0.68  0.0  0.8  1.0
  Hf  Hf2  1  0.68  0.44  0.23  1.0
  Hf  Hf3  1  0.68  0.56  0.23  1.0
  Co  Co4  1  0.0  0.0  0.0  1.0
  Co  Co5  1  0.0  0.0  0.23  1.0
  Co  Co6  1  0.56  0.34  0.18  1.0
  Co  Co7  1  0.56  0.34  0.28  1.0
  Co  Co8  1  0.56  0.66  0.18  1.0
  Co  Co9  1  0.56  0.66  0.28  1.0
  Co  Co10  1  0.58  0.28  0.58  1.0
  Co  Co11  1  0.58  0.28  0.88  1.0
  Co  Co12  1  0.58  0.72  0.58  1.0
  Co  Co13  1  0.58  0.72  0.88  1.0
  Co  Co14  1  0.68  0.0  0.0  1.0
  Co  Co15  1  0.68  0.0  0.23  1.0
  Co  Co16  1  0.68  0.34  0.55  1.0
  Co  Co17  1  0.68  0.34  0.91  1.0
  Co  Co18  1  0.68  0.66  0.55  1.0
  Co  Co19  1  0.68  0.66  0.91  1.0
  Co  Co20  1  0.78  0.28  0.58  1.0
  Co  Co21  1  0.78  0.28  0.88  1.0
  Co  Co22  1  0.78  0.72  0.58  1.0
  Co  Co23  1  0.78  0.72  0.88  1.0
  Co  Co24  1  0.8  0.34  0.18  1.0
  Co  Co25  1  0.8  0.34  0.28  1.0
  Co  Co26  1  0.8  0.66  0.18  1.0
  Co  Co27  1  0.8  0.66  0.28  1.0
  Pd  Pd28  1  0.0  0.0  0.59  1.0
  Pd  Pd29  1  0.0  0.0  0.88  1.0
  Pd  Pd30  1  0.68  0.45  0.0  1.0
  Pd  Pd31  1  0.68  0.55  0.0  1.0

Hf Hf Hf Hf Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Pd Pd Pd Pd
Hf Hf Hf Hf Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Pd Pd Pd Pd 0 1 o o o 0 6 o o o 0 9 o o o 0 20 o o o 0 26 o o o 1 5 o o o 1 8 o o o 1 21 o o o 1 27 o o o 2 3 o o o 2 25 o o + 3 31 + o o 4 15 o o o 4 18 o o o 4 25 o o + 5 27 o o o 5 10 + + o 6 20 o o o 7 14 o o o 7 17 o o o 7 25 o + + 8 21 o o o 8 22 o + o 9 26 o o o 9 22 o o o 10 27 - - o 10 22 - o o 10 19 o o o 11 13 o o o 12 16 o o o 13 23 o o o 14 25 o + + 15 25 o o + 16 24 o o o 17 25 o + + 18 25 o o + 19 30 o o - 19 25 - o o 21 22 o + o 22 25 o o o 22 26 o o o 24 31 + + o 25 30 + o - 28 29 o o o 