data_Y2AlB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   4.56
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AlB
_chemical_formula_sum   'Y2 Al1 B1'
_cell_volume   91.76
_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  Y2  1  0.75  0.28  0.04  1.0
  Y  Y3  1  0.0  0.0  0.14  1.0
  Al  Al0  1  0.75  0.28  0.18  1.0
  B  B1  1  0.0  0.0  0.99  1.0

data_Y2AlB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.56
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AlB
_chemical_formula_sum   'Y2 Al1 B1'
_cell_volume   91.76
_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  0.14  1.0
  Y  Y1  1  0.75  0.28  0.04  1.0
  Al  Al2  1  0.75  0.28  0.18  1.0
  B  B3  1  0.0  0.0  0.99  1.0

Y Y Al B
Y Y Al B 0 2 o o o 1 3 o o - 