data_BRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRu2
_chemical_formula_sum   'B2 Ru4'
_cell_volume   70.52
_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
  B  B0  1  0.02  0.16  0.75  1.0
  B  B1  1  0.0  0.33  0.25  1.0
  Ru  Ru2  1  0.0  0.0  0.5  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Ru  Ru4  1  0.02  0.16  0.25  1.0
  Ru  Ru5  1  0.0  0.33  0.75  1.0

data_BRu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.03
_cell_length_b   5.0
_cell_length_c   4.03
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BRu2
_chemical_formula_sum   'B2 Ru4'
_cell_volume   70.52
_cell_formula_units_Z   2
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  1  -0.0  0.5  0.33  1.0
  B  B1  1  0.02  0.0  0.16  1.0
  Ru  Ru2  2  0.0  0.25  0.0  1.0
  Ru  Ru3  1  -0.0  0.0  0.33  1.0
  Ru  Ru4  1  0.02  0.5  0.16  1.0

B B Ru Ru Ru Ru