data_YAl2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Ni3
_chemical_formula_sum   'Y3 Al6 Ni9'
_cell_volume   270.89
_cell_formula_units_Z   3
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  Y15  1  0.0  0.2  0.93  1.0
  Y  Y16  1  0.5  0.6  0.93  1.0
  Y  Y17  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.07  0.31  0.0  1.0
  Al  Al1  1  0.0  0.96  0.0  1.0
  Al  Al2  1  0.93  0.31  0.0  1.0
  Al  Al3  1  0.43  0.48  0.0  1.0
  Al  Al4  1  0.5  0.83  0.0  1.0
  Al  Al5  1  0.57  0.48  0.0  1.0
  Ni  Ni6  1  0.19  0.52  0.93  1.0
  Ni  Ni7  1  0.62  0.0  0.93  1.0
  Ni  Ni8  1  0.69  0.27  0.93  1.0
  Ni  Ni9  1  0.31  0.27  0.93  1.0
  Ni  Ni10  1  0.38  0.0  0.93  1.0
  Ni  Ni11  1  0.81  0.52  0.93  1.0
  Ni  Ni12  1  0.25  0.9  0.0  1.0
  Ni  Ni13  1  0.5  0.0  0.0  1.0
  Ni  Ni14  1  0.75  0.9  0.0  1.0

data_YAl2Ni3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Ni3
_chemical_formula_sum   'Y3 Al6 Ni9'
_cell_volume   270.89
_cell_formula_units_Z   3
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  0.0  0.0  0.0  1.0
  Y  Y1  1  0.93  0.0  0.2  1.0
  Y  Y2  1  0.93  0.5  0.6  1.0
  Al  Al3  1  0.0  0.5  0.83  1.0
  Al  Al4  1  0.0  0.07  0.31  1.0
  Al  Al5  1  0.0  0.93  0.31  1.0
  Al  Al6  1  0.0  0.0  0.96  1.0
  Al  Al7  1  0.0  0.57  0.48  1.0
  Al  Al8  1  0.0  0.43  0.48  1.0
  Ni  Ni9  1  0.0  0.5  0.0  1.0
  Ni  Ni10  1  0.0  0.75  0.9  1.0
  Ni  Ni11  1  0.0  0.25  0.9  1.0
  Ni  Ni12  1  0.93  0.19  0.52  1.0
  Ni  Ni13  1  0.93  0.31  0.27  1.0
  Ni  Ni14  1  0.93  0.38  0.0  1.0
  Ni  Ni15  1  0.93  0.62  0.0  1.0
  Ni  Ni16  1  0.93  0.69  0.27  1.0
  Ni  Ni17  1  0.93  0.81  0.52  1.0

Y Y Y Al Al Al Al Al Al Ni Ni Ni Ni Ni Ni Ni Ni Ni
Y Y Y Al Al Al Al Al Al Ni Ni Ni Ni Ni Ni Ni Ni Ni 0 3 o o + 1 6 o o + 2 4 o - o 2 17 - - o 3 5 - o o 3 9 o o - 4 17 - o o 5 11 o o - 6 8 o o o 6 12 o o - 7 16 o + o 7 10 o + - 7 17 o o o 8 14 o o - 10 16 o o + 10 11 o o o 10 17 o - + 11 16 o o + 11 14 o o o 13 15 o - + 13 16 o o + 