data_Be3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   3.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Sn
_chemical_formula_sum   'Be6 Sn2'
_cell_volume   106.04
_cell_formula_units_Z   2
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  0.11  0.26  0.82  1.0
  Be  Be1  1  0.11  0.74  0.94  1.0
  Be  Be2  1  0.08  0.59  0.82  1.0
  Be  Be3  1  0.14  0.41  0.94  1.0
  Be  Be4  1  0.08  0.41  0.94  1.0
  Be  Be5  1  0.14  0.59  0.82  1.0
  Sn  Sn6  1  0.11  0.56  0.82  1.0
  Sn  Sn7  1  0.11  0.44  0.94  1.0

data_Be3Sn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.75
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   111.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Be3Sn
_chemical_formula_sum   'Be6 Sn2'
_cell_volume   106.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.44  0.03  0.59  1.0
  Be  Be1  2  0.44  0.0  0.26  1.0
  Be  Be2  2  0.44  0.97  0.59  1.0
  Sn  Sn3  2  0.44  0.0  0.56  1.0

Be Be Be Be Be Be Sn Sn