data_BRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRu
_chemical_formula_sum   'B2 Ru2'
_cell_volume   43.77
_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  0.54  0.19  0.4  1.0
  B  B1  1  0.54  0.81  0.55  1.0
  Ru  Ru2  1  0.54  0.19  0.19  1.0
  Ru  Ru3  1  0.54  0.81  0.76  1.0

data_BRu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.29
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BRu
_chemical_formula_sum   'B2 Ru2'
_cell_volume   43.77
_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  2  0.5  0.19  0.92  1.0
  Ru  Ru1  2  0.5  0.19  0.72  1.0

B B Ru Ru