data_Y(BeAl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   138.54
_cell_angle_beta   138.54
_cell_angle_gamma   60.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(BeAl)2
_chemical_formula_sum   'Y1 Be2 Al2'
_cell_volume   81.01
_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  Y4  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.0  0.02  0.47  1.0
  Be  Be3  1  0.02  0.0  0.47  1.0
  Al  Al0  1  0.0  0.0  0.22  1.0
  Al  Al1  1  0.0  0.0  0.67  1.0

data_Y(BeAl)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   120.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y(BeAl)2
_chemical_formula_sum   'Y2 Be4 Al4'
_cell_volume   162.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Be  Be1  4  0.04  0.49  0.55  1.0
  Al  Al2  2  0.28  0.5  0.78  1.0
  Al  Al3  2  0.33  0.0  0.33  1.0

Y Be Be Al Al