data_YAl2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   34.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Ni
_chemical_formula_sum   'Y1 Al2 Ni1'
_cell_volume   74.79
_cell_formula_units_Z   1
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  Y3  1  0.04  0.0  0.54  1.0
  Al  Al0  1  0.0  0.0  0.19  1.0
  Al  Al1  1  0.04  0.0  0.48  1.0
  Ni  Ni2  1  0.0  0.0  0.73  1.0

data_YAl2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.08
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   107.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Ni
_chemical_formula_sum   'Y1 Al2 Ni1'
_cell_volume   74.79
_cell_formula_units_Z   1
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  0.46  0.04  0.46  1.0
  Al  Al1  1  0.52  0.04  0.52  1.0
  Al  Al2  1  0.81  0.0  0.81  1.0
  Ni  Ni3  1  0.27  0.0  0.27  1.0

Y Al Al Ni
Y Al Al Ni 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 