data_SrB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37
_cell_length_b   3.14
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrB2
_chemical_formula_sum   'Sr4 B8'
_cell_volume   216.75
_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
  Sr  Sr8  1  0.64  0.35  0.3  1.0
  Sr  Sr9  1  0.55  0.78  0.17  1.0
  Sr  Sr10  1  0.83  0.35  0.08  1.0
  Sr  Sr11  1  0.73  0.78  0.96  1.0
  B  B0  1  0.25  0.35  0.82  1.0
  B  B1  1  0.31  0.78  0.94  1.0
  B  B2  1  0.07  0.35  0.31  1.0
  B  B3  1  0.12  0.78  0.44  1.0
  B  B4  1  0.28  0.35  0.67  1.0
  B  B5  1  0.28  0.78  0.54  1.0
  B  B6  1  0.09  0.35  0.71  1.0
  B  B7  1  0.1  0.78  0.59  1.0

data_SrB2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.14
_cell_length_b   8.25
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrB2
_chemical_formula_sum   'Sr4 B8'
_cell_volume   216.75
_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
  Sr  Sr0  2  0.28  0.17  0.45  1.0
  Sr  Sr1  2  0.28  0.96  0.64  1.0
  B  B2  2  0.28  0.18  0.88  1.0
  B  B3  2  0.28  0.54  0.09  1.0
  B  B4  2  0.28  0.59  0.9  1.0
  B  B5  2  0.28  0.69  0.07  1.0

Sr Sr Sr Sr B B B B B B B B