data_Si3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3B
_chemical_formula_sum   'Si6 B2'
_cell_volume   101.41
_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
  Si  Si2  1  0.17  0.0  0.33  1.0
  Si  Si3  1  0.5  0.0  0.33  1.0
  Si  Si4  1  0.33  0.17  0.0  1.0
  Si  Si5  1  0.33  0.5  0.0  1.0
  Si  Si6  1  0.0  0.33  0.5  1.0
  Si  Si7  1  0.0  0.33  0.17  1.0
  B  B0  1  0.33  0.33  0.33  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_Si3B
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Si3B
_chemical_formula_sum   'Si18 B6'
_cell_volume   304.23
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Si  Si0  9  0.06  0.28  0.28  1.0
  Si  Si1  9  0.17  0.17  0.17  1.0
  B  B2  3  0.0  0.0  0.0  1.0
  B  B3  3  0.0  0.0  0.33  1.0

Si Si Si Si Si Si B B
Si Si Si Si Si Si B B 0 7 o o o 0 5 o o o 0 4 o o o 0 2 o o o 0 6 o o o 0 1 o o o 1 2 o o o 1 6 o o o 2 7 o o o 2 5 o o o 2 6 o o o 2 3 o o o 3 5 o o o 3 6 o o o 4 6 o o o 4 5 o o o 5 7 o o o 5 6 o o o 