data_BeAlSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.61
_cell_angle_alpha   106.33
_cell_angle_beta   106.33
_cell_angle_gamma   35.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlSn2
_chemical_formula_sum   'Be1 Al1 Sn2'
_cell_volume   83.73
_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  0.08  0.0  0.94  1.0
  Al  Al0  1  0.41  0.0  0.81  1.0
  Sn  Sn2  1  0.94  0.0  0.04  1.0
  Sn  Sn3  1  0.06  0.0  0.61  1.0

data_BeAlSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.17
_cell_length_c   5.61
_cell_angle_alpha   106.33
_cell_angle_beta   90.0
_cell_angle_gamma   107.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlSn2
_chemical_formula_sum   'Be1 Al1 Sn2'
_cell_volume   83.73
_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  0.92  0.06  1.0
  Al  Al1  1  0.0  0.59  0.19  1.0
  Sn  Sn2  1  0.0  0.06  0.96  1.0
  Sn  Sn3  1  0.0  0.94  0.39  1.0

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