data_Sn7B6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29
_cell_length_b   8.29
_cell_length_c   8.29
_cell_angle_alpha   46.52
_cell_angle_beta   46.52
_cell_angle_gamma   46.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn7B6
_chemical_formula_sum   'Sn7 B6'
_cell_volume   274.04
_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
  Sn  Sn6  1  0.57  0.91  0.23  1.0
  Sn  Sn7  1  0.43  0.91  0.23  1.0
  Sn  Sn8  1  0.0  0.18  0.23  1.0
  Sn  Sn9  1  0.43  0.09  0.91  1.0
  Sn  Sn10  1  0.0  0.82  0.91  1.0
  Sn  Sn11  1  0.57  0.09  0.91  1.0
  Sn  Sn12  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.9  1.0
  B  B1  1  0.0  0.0  0.24  1.0
  B  B2  1  0.0  0.0  0.42  1.0
  B  B3  1  0.0  0.0  0.72  1.0
  B  B4  1  0.0  0.0  0.51  1.0
  B  B5  1  0.0  0.0  0.63  1.0

data_Sn7B6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   8.29
_cell_angle_alpha   66.74
_cell_angle_beta   66.74
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn7B6
_chemical_formula_sum   'Sn7 B6'
_cell_volume   274.04
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.09  0.77  0.56  1.0
  Sn  Sn2  1  0.09  0.77  0.71  1.0
  Sn  Sn3  1  0.18  0.09  0.73  1.0
  Sn  Sn4  1  0.82  0.77  0.41  1.0
  Sn  Sn5  1  0.91  0.09  0.43  1.0
  Sn  Sn6  1  0.91  0.09  0.57  1.0
  B  B7  1  0.0  0.1  0.9  1.0
  B  B8  1  0.0  0.28  0.72  1.0
  B  B9  1  0.0  0.37  0.63  1.0
  B  B10  1  0.0  0.49  0.51  1.0
  B  B11  1  0.0  0.58  0.42  1.0
  B  B12  1  0.0  0.76  0.24  1.0

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