data_BRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   3.8
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRu2
_chemical_formula_sum   'B4 Ru8'
_cell_volume   137.82
_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
  B  B0  1  0.12  0.95  0.88  1.0
  B  B1  1  0.2  0.85  0.62  1.0
  B  B2  1  0.35  0.95  0.91  1.0
  B  B3  1  0.43  0.85  0.64  1.0
  Ru  Ru4  1  0.05  0.95  0.05  1.0
  Ru  Ru5  1  0.72  0.85  0.31  1.0
  Ru  Ru6  1  0.83  0.95  0.22  1.0
  Ru  Ru7  1  0.5  0.85  0.48  1.0
  Ru  Ru8  1  0.77  0.95  0.82  1.0
  Ru  Ru9  1  0.01  0.85  0.56  1.0
  Ru  Ru10  1  0.54  0.95  0.97  1.0
  Ru  Ru11  1  0.78  0.85  0.71  1.0

data_BRu2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.8
_cell_length_b   5.55
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BRu2
_chemical_formula_sum   'B4 Ru8'
_cell_volume   137.82
_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
  B  B0  2  0.05  0.57  0.14  1.0
  B  B1  2  0.05  0.35  0.12  1.0
  Ru  Ru2  2  0.05  0.05  0.45  1.0
  Ru  Ru3  2  0.05  0.77  0.21  1.0
  Ru  Ru4  2  0.05  0.28  0.28  1.0
  Ru  Ru5  2  0.05  0.99  0.06  1.0

B B B B Ru Ru Ru Ru Ru Ru Ru Ru