data_Sr2BOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BOs
_chemical_formula_sum   'Sr2 B1 Os1'
_cell_volume   92.16
_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
  Sr  Sr2  1  0.38  0.38  0.38  1.0
  Sr  Sr3  1  0.79  0.79  0.79  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.59  0.59  0.59  1.0

data_Sr2BOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr2BOs
_chemical_formula_sum   'Sr6 B3 Os3'
_cell_volume   276.48
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Sr  Sr0  3  0.0  0.0  0.21  1.0
  Sr  Sr1  3  0.0  0.0  0.62  1.0
  B  B2  3  0.0  0.0  0.0  1.0
  Os  Os3  3  0.0  0.0  0.41  1.0

Sr Sr B Os
Sr2OsB is Heusler structured and crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to one Os(1) and three equivalent B(1) atoms. The Sr(1)-Os(1) bond length is 2.58 Å. All Sr(1)-B(1) bond lengths are 2.98 Å. In the second Sr site, Sr(2) is bonded in a distorted linear geometry to one Os(1) and one B(1) atom. The Sr(2)-Os(1) bond length is 2.58 Å. The Sr(2)-B(1) bond length is 2.58 Å. Os(1) is bonded in a distorted linear geometry to one Sr(1) and one Sr(2) atom. B(1) is bonded in a 4-coordinate geometry to one Sr(2) and three equivalent Sr(1) atoms.