data_Be2NbAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   34.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbAl
_chemical_formula_sum   'Be2 Nb1 Al1'
_cell_volume   50.75
_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
  Be  Be1  1  0.88  0.0  0.59  1.0
  Be  Be2  1  0.0  0.0  0.81  1.0
  Nb  Nb3  1  0.88  0.0  0.07  1.0
  Al  Al0  1  0.0  0.0  1.0  1.0

data_Be2NbAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.76
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbAl
_chemical_formula_sum   'Be2 Nb1 Al1'
_cell_volume   50.75
_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
  Be  Be0  1  0.19  0.0  0.19  1.0
  Be  Be1  1  0.41  0.88  0.41  1.0
  Nb  Nb2  1  0.93  0.88  0.93  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

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