data_YNbAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.84
_cell_angle_alpha   96.41
_cell_angle_beta   96.41
_cell_angle_gamma   34.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbAl2
_chemical_formula_sum   'Y1 Nb1 Al2'
_cell_volume   82.74
_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  0.0  1.0
  Nb  Nb2  1  0.43  0.0  0.9  1.0
  Al  Al0  1  0.84  0.0  0.06  1.0
  Al  Al1  1  0.02  0.0  0.75  1.0

data_YNbAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.0
_cell_length_c   5.84
_cell_angle_alpha   96.41
_cell_angle_beta   90.0
_cell_angle_gamma   107.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbAl2
_chemical_formula_sum   'Y1 Nb1 Al2'
_cell_volume   82.74
_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  0.0  1.0
  Nb  Nb1  1  0.0  0.57  0.1  1.0
  Al  Al2  1  0.0  0.16  0.94  1.0
  Al  Al3  1  0.0  0.98  0.25  1.0

Y Nb Al Al
Y Nb Al Al 0 2 - o o 0 1 o o - 0 3 o o - 1 3 o o o 1 2 o o + 