data_YAlNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlNi6
_chemical_formula_sum   'Y4 Al4 Ni24'
_cell_volume   411.46
_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
  Y  Y28  1  0.67  0.44  0.3  1.0
  Y  Y29  1  0.67  0.56  0.3  1.0
  Y  Y30  1  0.67  0.0  0.02  1.0
  Y  Y31  1  0.67  0.0  0.59  1.0
  Al  Al0  1  0.67  0.51  0.0  1.0
  Al  Al1  1  0.67  0.49  0.0  1.0
  Al  Al2  1  0.0  0.0  0.06  1.0
  Al  Al3  1  0.0  0.0  0.55  1.0
  Ni  Ni4  1  0.67  0.28  0.12  1.0
  Ni  Ni5  1  0.72  0.63  0.38  1.0
  Ni  Ni6  1  0.62  0.37  0.38  1.0
  Ni  Ni7  1  0.67  0.72  0.12  1.0
  Ni  Ni8  1  0.62  0.63  0.38  1.0
  Ni  Ni9  1  0.72  0.37  0.38  1.0
  Ni  Ni10  1  0.0  0.0  0.3  1.0
  Ni  Ni11  1  0.64  0.28  0.75  1.0
  Ni  Ni12  1  0.64  0.72  0.75  1.0
  Ni  Ni13  1  0.67  0.28  0.49  1.0
  Ni  Ni14  1  0.7  0.72  0.86  1.0
  Ni  Ni15  1  0.64  0.28  0.86  1.0
  Ni  Ni16  1  0.67  0.72  0.49  1.0
  Ni  Ni17  1  0.64  0.72  0.86  1.0
  Ni  Ni18  1  0.7  0.28  0.86  1.0
  Ni  Ni19  1  0.0  0.0  0.0  1.0
  Ni  Ni20  1  0.62  0.37  0.23  1.0
  Ni  Ni21  1  0.62  0.63  0.23  1.0
  Ni  Ni22  1  0.67  0.0  0.3  1.0
  Ni  Ni23  1  0.7  0.28  0.75  1.0
  Ni  Ni24  1  0.7  0.72  0.75  1.0
  Ni  Ni25  1  0.67  0.0  0.0  1.0
  Ni  Ni26  1  0.72  0.37  0.23  1.0
  Ni  Ni27  1  0.72  0.63  0.23  1.0

data_YAlNi6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlNi6
_chemical_formula_sum   'Y4 Al4 Ni24'
_cell_volume   411.46
_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
  Y  Y0  1  0.67  0.0  0.02  1.0
  Y  Y1  1  0.67  0.0  0.59  1.0
  Y  Y2  1  0.67  0.44  0.3  1.0
  Y  Y3  1  0.67  0.56  0.3  1.0
  Al  Al4  1  0.0  0.0  0.06  1.0
  Al  Al5  1  0.0  0.0  0.55  1.0
  Al  Al6  1  0.67  0.49  0.0  1.0
  Al  Al7  1  0.67  0.51  0.0  1.0
  Ni  Ni8  1  0.0  0.0  0.0  1.0
  Ni  Ni9  1  0.0  0.0  0.3  1.0
  Ni  Ni10  1  0.62  0.37  0.23  1.0
  Ni  Ni11  1  0.62  0.37  0.38  1.0
  Ni  Ni12  1  0.62  0.63  0.23  1.0
  Ni  Ni13  1  0.62  0.63  0.38  1.0
  Ni  Ni14  1  0.64  0.28  0.75  1.0
  Ni  Ni15  1  0.64  0.28  0.86  1.0
  Ni  Ni16  1  0.64  0.72  0.75  1.0
  Ni  Ni17  1  0.64  0.72  0.86  1.0
  Ni  Ni18  1  0.67  0.0  0.0  1.0
  Ni  Ni19  1  0.67  0.0  0.3  1.0
  Ni  Ni20  1  0.67  0.28  0.12  1.0
  Ni  Ni21  1  0.67  0.28  0.49  1.0
  Ni  Ni22  1  0.67  0.72  0.12  1.0
  Ni  Ni23  1  0.67  0.72  0.49  1.0
  Ni  Ni24  1  0.7  0.28  0.75  1.0
  Ni  Ni25  1  0.7  0.28  0.86  1.0
  Ni  Ni26  1  0.7  0.72  0.75  1.0
  Ni  Ni27  1  0.7  0.72  0.86  1.0
  Ni  Ni28  1  0.72  0.37  0.23  1.0
  Ni  Ni29  1  0.72  0.37  0.38  1.0
  Ni  Ni30  1  0.72  0.63  0.23  1.0
  Ni  Ni31  1  0.72  0.63  0.38  1.0

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