data_HfMgNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgNi6
_chemical_formula_sum   'Hf4 Mg4 Ni24'
_cell_volume   398.92
_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  0.42  0.2  1.0
  Hf  Hf1  1  0.68  0.58  0.2  1.0
  Hf  Hf2  1  0.68  0.0  0.84  1.0
  Hf  Hf3  1  0.68  0.0  0.57  1.0
  Mg  Mg4  1  0.68  0.42  0.0  1.0
  Mg  Mg5  1  0.68  0.58  0.0  1.0
  Mg  Mg6  1  0.0  0.0  0.82  1.0
  Mg  Mg7  1  0.0  0.0  0.58  1.0
  Ni  Ni8  1  0.68  0.39  0.83  1.0
  Ni  Ni9  1  0.82  0.69  0.12  1.0
  Ni  Ni10  1  0.54  0.31  0.12  1.0
  Ni  Ni11  1  0.68  0.61  0.83  1.0
  Ni  Ni12  1  0.54  0.69  0.12  1.0
  Ni  Ni13  1  0.82  0.31  0.12  1.0
  Ni  Ni14  1  0.0  0.0  0.2  1.0
  Ni  Ni15  1  0.54  0.29  0.52  1.0
  Ni  Ni16  1  0.54  0.71  0.52  1.0
  Ni  Ni17  1  0.68  0.39  0.58  1.0
  Ni  Ni18  1  0.83  0.71  0.89  1.0
  Ni  Ni19  1  0.54  0.29  0.89  1.0
  Ni  Ni20  1  0.68  0.61  0.58  1.0
  Ni  Ni21  1  0.54  0.71  0.89  1.0
  Ni  Ni22  1  0.83  0.29  0.89  1.0
  Ni  Ni23  1  0.0  0.0  0.0  1.0
  Ni  Ni24  1  0.54  0.31  0.29  1.0
  Ni  Ni25  1  0.54  0.69  0.29  1.0
  Ni  Ni26  1  0.68  0.0  0.2  1.0
  Ni  Ni27  1  0.83  0.29  0.52  1.0
  Ni  Ni28  1  0.83  0.71  0.52  1.0
  Ni  Ni29  1  0.68  0.0  0.0  1.0
  Ni  Ni30  1  0.82  0.31  0.29  1.0
  Ni  Ni31  1  0.82  0.69  0.29  1.0

data_HfMgNi6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgNi6
_chemical_formula_sum   'Hf4 Mg4 Ni24'
_cell_volume   398.92
_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  0.57  1.0
  Hf  Hf1  1  0.68  0.0  0.84  1.0
  Hf  Hf2  1  0.68  0.42  0.2  1.0
  Hf  Hf3  1  0.68  0.58  0.2  1.0
  Mg  Mg4  1  0.0  0.0  0.58  1.0
  Mg  Mg5  1  0.0  0.0  0.82  1.0
  Mg  Mg6  1  0.68  0.42  0.0  1.0
  Mg  Mg7  1  0.68  0.58  0.0  1.0
  Ni  Ni8  1  0.0  0.0  0.0  1.0
  Ni  Ni9  1  0.0  0.0  0.2  1.0
  Ni  Ni10  1  0.54  0.29  0.52  1.0
  Ni  Ni11  1  0.54  0.29  0.89  1.0
  Ni  Ni12  1  0.54  0.71  0.52  1.0
  Ni  Ni13  1  0.54  0.71  0.89  1.0
  Ni  Ni14  1  0.54  0.31  0.12  1.0
  Ni  Ni15  1  0.54  0.31  0.29  1.0
  Ni  Ni16  1  0.54  0.69  0.12  1.0
  Ni  Ni17  1  0.54  0.69  0.29  1.0
  Ni  Ni18  1  0.68  0.0  0.0  1.0
  Ni  Ni19  1  0.68  0.0  0.2  1.0
  Ni  Ni20  1  0.68  0.39  0.58  1.0
  Ni  Ni21  1  0.68  0.39  0.83  1.0
  Ni  Ni22  1  0.68  0.61  0.58  1.0
  Ni  Ni23  1  0.68  0.61  0.83  1.0
  Ni  Ni24  1  0.82  0.31  0.12  1.0
  Ni  Ni25  1  0.82  0.31  0.29  1.0
  Ni  Ni26  1  0.82  0.69  0.12  1.0
  Ni  Ni27  1  0.82  0.69  0.29  1.0
  Ni  Ni28  1  0.83  0.29  0.52  1.0
  Ni  Ni29  1  0.83  0.29  0.89  1.0
  Ni  Ni30  1  0.83  0.71  0.52  1.0
  Ni  Ni31  1  0.83  0.71  0.89  1.0

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