data_SiB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiB3
_chemical_formula_sum   'Si1 B3'
_cell_volume   32.44
_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
  Si  Si3  1  0.89  0.0  0.0  1.0
  B  B0  1  0.94  0.54  0.47  1.0
  B  B1  1  0.94  0.46  0.47  1.0
  B  B2  1  0.0  0.0  0.0  1.0

data_SiB3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   3.48
_cell_length_c   3.48
_cell_angle_alpha   114.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiB3
_chemical_formula_sum   'Si1 B3'
_cell_volume   32.44
_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
  Si  Si0  1  0.0  0.89  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.47  0.94  0.46  1.0
  B  B3  1  0.47  0.94  0.54  1.0

Si B B B