data_YAlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   121.96
_cell_angle_beta   117.87
_cell_angle_gamma   90.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlNi2
_chemical_formula_sum   'Y1 Al1 Ni2'
_cell_volume   63.28
_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  0.0  0.0  0.16  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.31  0.72  1.0
  Ni  Ni2  1  0.17  0.0  0.44  1.0

data_YAlNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   62.13
_cell_angle_beta   60.98
_cell_angle_gamma   60.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlNi2
_chemical_formula_sum   'Y1 Al1 Ni2'
_cell_volume   63.28
_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  0.0  0.0  0.16  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.83  0.44  1.0
  Ni  Ni3  1  0.31  0.0  0.41  1.0

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