data_AlNi6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi6Sb
_chemical_formula_sum   'Al4 Ni24 Sb4'
_cell_volume   386.3
_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
  Al  Al0  1  0.64  0.43  0.0  1.0
  Al  Al1  1  0.64  0.57  0.0  1.0
  Al  Al2  1  0.0  0.0  0.81  1.0
  Al  Al3  1  0.0  0.0  0.5  1.0
  Ni  Ni4  1  0.64  0.38  0.8  1.0
  Ni  Ni5  1  0.79  0.69  0.06  1.0
  Ni  Ni6  1  0.49  0.31  0.06  1.0
  Ni  Ni7  1  0.64  0.62  0.8  1.0
  Ni  Ni8  1  0.49  0.69  0.06  1.0
  Ni  Ni9  1  0.79  0.31  0.06  1.0
  Ni  Ni10  1  0.0  0.0  0.16  1.0
  Ni  Ni11  1  0.5  0.26  0.49  1.0
  Ni  Ni12  1  0.5  0.74  0.49  1.0
  Ni  Ni13  1  0.64  0.38  0.52  1.0
  Ni  Ni14  1  0.78  0.74  0.82  1.0
  Ni  Ni15  1  0.5  0.26  0.82  1.0
  Ni  Ni16  1  0.64  0.62  0.52  1.0
  Ni  Ni17  1  0.5  0.74  0.82  1.0
  Ni  Ni18  1  0.78  0.26  0.82  1.0
  Ni  Ni19  1  0.0  0.0  0.0  1.0
  Ni  Ni20  1  0.49  0.31  0.25  1.0
  Ni  Ni21  1  0.49  0.69  0.25  1.0
  Ni  Ni22  1  0.64  0.0  0.16  1.0
  Ni  Ni23  1  0.78  0.26  0.49  1.0
  Ni  Ni24  1  0.78  0.74  0.49  1.0
  Ni  Ni25  1  0.64  0.0  0.0  1.0
  Ni  Ni26  1  0.79  0.31  0.25  1.0
  Ni  Ni27  1  0.79  0.69  0.25  1.0
  Sb  Sb28  1  0.64  0.43  0.16  1.0
  Sb  Sb29  1  0.64  0.57  0.16  1.0
  Sb  Sb30  1  0.64  0.0  0.8  1.0
  Sb  Sb31  1  0.64  0.0  0.51  1.0

data_AlNi6Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi6Sb
_chemical_formula_sum   'Al4 Ni24 Sb4'
_cell_volume   386.3
_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
  Al  Al0  1  0.0  0.0  0.5  1.0
  Al  Al1  1  0.0  0.0  0.81  1.0
  Al  Al2  1  0.64  0.43  0.0  1.0
  Al  Al3  1  0.64  0.57  0.0  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.0  0.0  0.16  1.0
  Ni  Ni6  1  0.49  0.69  0.06  1.0
  Ni  Ni7  1  0.49  0.69  0.25  1.0
  Ni  Ni8  1  0.49  0.31  0.06  1.0
  Ni  Ni9  1  0.49  0.31  0.25  1.0
  Ni  Ni10  1  0.5  0.74  0.49  1.0
  Ni  Ni11  1  0.5  0.74  0.82  1.0
  Ni  Ni12  1  0.5  0.26  0.49  1.0
  Ni  Ni13  1  0.5  0.26  0.82  1.0
  Ni  Ni14  1  0.64  0.0  0.0  1.0
  Ni  Ni15  1  0.64  0.0  0.16  1.0
  Ni  Ni16  1  0.64  0.38  0.52  1.0
  Ni  Ni17  1  0.64  0.38  0.8  1.0
  Ni  Ni18  1  0.64  0.62  0.52  1.0
  Ni  Ni19  1  0.64  0.62  0.8  1.0
  Ni  Ni20  1  0.78  0.26  0.49  1.0
  Ni  Ni21  1  0.78  0.26  0.82  1.0
  Ni  Ni22  1  0.78  0.74  0.49  1.0
  Ni  Ni23  1  0.78  0.74  0.82  1.0
  Ni  Ni24  1  0.79  0.31  0.06  1.0
  Ni  Ni25  1  0.79  0.31  0.25  1.0
  Ni  Ni26  1  0.79  0.69  0.06  1.0
  Ni  Ni27  1  0.79  0.69  0.25  1.0
  Sb  Sb28  1  0.64  0.0  0.51  1.0
  Sb  Sb29  1  0.64  0.0  0.8  1.0
  Sb  Sb30  1  0.64  0.43  0.16  1.0
  Sb  Sb31  1  0.64  0.57  0.16  1.0

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