data_BeAl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61
_cell_length_b   8.61
_cell_length_c   8.61
_cell_angle_alpha   21.01
_cell_angle_beta   21.01
_cell_angle_gamma   21.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Sn
_chemical_formula_sum   'Be1 Al2 Sn1'
_cell_volume   71.96
_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  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.54  1.0
  Al  Al1  1  0.0  0.0  0.72  1.0
  Sn  Sn3  1  0.0  0.0  0.63  1.0

data_BeAl2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   102.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAl2Sn
_chemical_formula_sum   'Be2 Al4 Sn2'
_cell_volume   143.91
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Al  Al1  2  0.0  0.0  0.28  1.0
  Al  Al2  2  0.0  0.0  0.46  1.0
  Sn  Sn3  2  0.0  0.0  0.37  1.0

Be Al Al Sn