data_Be3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.55
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Sn
_chemical_formula_sum   'Be12 Sn4'
_cell_volume   237.37
_cell_formula_units_Z   4
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  0.5  0.66  0.29  1.0
  Be  Be1  1  1.0  0.89  0.54  1.0
  Be  Be2  1  0.0  0.66  0.95  1.0
  Be  Be3  1  0.5  0.89  0.2  1.0
  Be  Be4  1  0.74  0.53  0.06  1.0
  Be  Be5  1  0.76  0.02  0.81  1.0
  Be  Be6  1  0.24  0.8  0.68  1.0
  Be  Be7  1  0.26  0.75  0.43  1.0
  Be  Be8  1  0.26  0.02  0.43  1.0
  Be  Be9  1  0.24  0.53  0.68  1.0
  Be  Be10  1  0.76  0.75  0.81  1.0
  Be  Be11  1  0.74  0.8  0.06  1.0
  Sn  Sn12  1  0.57  0.66  0.54  1.0
  Sn  Sn13  1  0.92  0.89  0.29  1.0
  Sn  Sn14  1  0.08  0.66  0.2  1.0
  Sn  Sn15  1  0.42  0.89  0.95  1.0

data_Be3Sn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.49
_cell_length_b   7.0
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Be3Sn
_chemical_formula_sum   'Be12 Sn4'
_cell_volume   237.37
_cell_formula_units_Z   4
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  0.05  0.0  0.39  1.0
  Be  Be1  2  0.19  0.76  0.48  1.0
  Be  Be2  2  0.19  0.76  0.75  1.0
  Be  Be3  2  0.29  0.5  0.61  1.0
  Be  Be4  2  0.43  0.74  0.52  1.0
  Be  Be5  2  0.43  0.74  0.25  1.0
  Sn  Sn6  2  0.05  0.42  0.61  1.0
  Sn  Sn7  2  0.29  0.08  0.39  1.0

Be Be Be Be Be Be Be Be Be Be Be Be Sn Sn Sn Sn
Be Be Be Be Be Be Be Be Be Be Be Be Sn Sn Sn Sn 0 12 o o o 0 4 o o o 1 13 o o o 1 5 o + o 1 8 + + o 2 14 o o + 2 4 - o + 2 9 o o o 3 15 o o - 3 8 o + o 4 10 o o - 4 11 o o o 5 11 o - + 5 10 o - o 6 7 o o o 6 8 o + o 6 9 o o o 7 8 o + o 7 9 o o o 10 11 o o + 