data_Sn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32
_cell_length_b   9.32
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2B
_chemical_formula_sum   'Sn16 B8'
_cell_volume   689.86
_cell_formula_units_Z   8
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
  Sn  Sn8  1  0.0  0.38  0.38  1.0
  Sn  Sn9  1  0.66  0.69  0.79  1.0
  Sn  Sn10  1  0.66  0.69  0.8  1.0
  Sn  Sn11  1  0.0  0.38  0.37  1.0
  Sn  Sn12  1  0.33  0.04  0.58  1.0
  Sn  Sn13  1  0.66  0.0  0.58  1.0
  Sn  Sn14  1  0.67  0.04  0.58  1.0
  Sn  Sn15  1  0.33  0.04  0.0  1.0
  Sn  Sn16  1  0.66  0.0  0.0  1.0
  Sn  Sn17  1  0.67  0.04  0.0  1.0
  Sn  Sn18  1  0.97  0.13  0.87  1.0
  Sn  Sn19  1  0.0  0.88  0.87  1.0
  Sn  Sn20  1  0.03  0.13  0.87  1.0
  Sn  Sn21  1  0.69  0.94  0.29  1.0
  Sn  Sn22  1  0.66  0.19  0.29  1.0
  Sn  Sn23  1  0.63  0.94  0.29  1.0
  B  B0  1  0.0  0.0  0.36  1.0
  B  B1  1  0.0  0.0  0.8  1.0
  B  B2  1  0.0  0.0  0.78  1.0
  B  B3  1  0.0  0.0  0.39  1.0
  B  B4  1  0.0  0.38  0.07  1.0
  B  B5  1  0.66  0.69  0.09  1.0
  B  B6  1  0.66  0.69  0.66  1.0
  B  B7  1  0.0  0.38  0.51  1.0

data_Sn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.17
_cell_length_b   9.32
_cell_length_c   9.32
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2B
_chemical_formula_sum   'Sn16 B8'
_cell_volume   689.86
_cell_formula_units_Z   8
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
  Sn  Sn0  1  -0.0  0.33  0.04  1.0
  Sn  Sn1  1  -0.0  0.67  0.04  1.0
  Sn  Sn2  1  0.0  0.66  0.0  1.0
  Sn  Sn3  1  0.29  0.63  0.94  1.0
  Sn  Sn4  1  0.29  0.66  0.19  1.0
  Sn  Sn5  1  0.29  0.69  0.94  1.0
  Sn  Sn6  1  0.37  0.0  0.38  1.0
  Sn  Sn7  1  0.38  0.0  0.38  1.0
  Sn  Sn8  1  0.58  0.33  0.04  1.0
  Sn  Sn9  1  0.58  0.66  0.0  1.0
  Sn  Sn10  1  0.58  0.67  0.04  1.0
  Sn  Sn11  1  0.79  0.66  0.69  1.0
  Sn  Sn12  1  0.8  0.66  0.69  1.0
  Sn  Sn13  1  0.87  0.0  0.88  1.0
  Sn  Sn14  1  0.87  0.03  0.13  1.0
  Sn  Sn15  1  0.87  0.97  0.13  1.0
  B  B16  1  0.07  0.0  0.38  1.0
  B  B17  1  0.09  0.66  0.69  1.0
  B  B18  1  0.36  0.0  0.0  1.0
  B  B19  1  0.39  0.0  0.0  1.0
  B  B20  1  0.51  0.0  0.38  1.0
  B  B21  1  0.66  0.66  0.69  1.0
  B  B22  1  0.78  0.0  0.0  1.0
  B  B23  1  0.8  0.0  0.0  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn B B B B B B B B