data_LiBeAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.65
_cell_angle_alpha   99.27
_cell_angle_beta   99.27
_cell_angle_gamma   34.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeAl2
_chemical_formula_sum   'Li1 Be1 Al2'
_cell_volume   56.76
_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
  Li  Li3  1  0.6  0.0  0.43  1.0
  Be  Be2  1  0.04  0.0  0.27  1.0
  Al  Al0  1  0.26  0.0  0.53  1.0
  Al  Al1  1  0.58  0.0  0.24  1.0

data_LiBeAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.65
_cell_length_c   4.69
_cell_angle_alpha   99.27
_cell_angle_beta   107.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeAl2
_chemical_formula_sum   'Li1 Be1 Al2'
_cell_volume   56.76
_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
  Li  Li0  1  0.0  0.43  0.6  1.0
  Be  Be1  1  0.0  0.27  0.04  1.0
  Al  Al2  1  0.0  0.24  0.58  1.0
  Al  Al3  1  0.0  0.53  0.26  1.0

Li Be Al Al
Li Be Al Al 0 3 o o o 1 2 o o o 