data_B2OsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   32.63
_cell_angle_beta   32.63
_cell_angle_gamma   32.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2OsRu
_chemical_formula_sum   'B2 Os1 Ru1'
_cell_volume   41.8
_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
  B  B0  1  0.0  0.0  0.8  1.0
  B  B1  1  0.0  0.0  0.55  1.0
  Os  Os2  1  0.0  0.0  0.24  1.0
  Ru  Ru3  1  0.0  0.0  0.06  1.0

data_B2OsRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   3.06
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B2OsRu
_chemical_formula_sum   'B4 Os2 Ru2'
_cell_volume   83.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.2  1.0
  B  B1  2  0.0  0.0  0.45  1.0
  Os  Os2  2  0.0  0.0  0.76  1.0
  Ru  Ru3  2  0.0  0.0  0.94  1.0

B B Os Ru