data_BeAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   152.22
_cell_angle_beta   132.42
_cell_angle_gamma   56.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl3
_chemical_formula_sum   'Be1 Al3'
_cell_volume   60.11
_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  Be3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.26  0.85  1.0
  Al  Al1  1  0.0  0.0  0.95  1.0
  Al  Al2  1  0.34  0.0  0.1  1.0

data_BeAl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.52
_cell_length_c   5.6
_cell_angle_alpha   113.79
_cell_angle_beta   103.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl3
_chemical_formula_sum   'Be1 Al3'
_cell_volume   60.11
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.1  0.75  1.0
  Al  Al2  1  0.0  0.95  0.95  1.0
  Al  Al3  1  0.74  0.59  0.59  1.0

Be Al Al Al