data_SiBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   4.74
_cell_angle_alpha   111.55
_cell_angle_beta   111.55
_cell_angle_gamma   40.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBRu2
_chemical_formula_sum   'Si1 B1 Ru2'
_cell_volume   48.41
_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  0.94  0.0  0.18  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.07  0.0  0.95  1.0
  Ru  Ru2  1  0.81  0.0  0.42  1.0

data_SiBRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.13
_cell_length_c   4.74
_cell_angle_alpha   111.55
_cell_angle_beta   90.0
_cell_angle_gamma   110.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBRu2
_chemical_formula_sum   'Si1 B1 Ru2'
_cell_volume   48.41
_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  0.06  0.82  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.19  0.58  1.0
  Ru  Ru3  1  0.0  0.93  0.05  1.0

Si B Ru Ru