data_AlBOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   3.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBOs
_chemical_formula_sum   'Al1 B1 Os1'
_cell_volume   41.71
_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
  Al  Al0  1  0.75  0.75  0.75  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.38  0.38  0.38  1.0

data_AlBOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlBOs
_chemical_formula_sum   'Al3 B3 Os3'
_cell_volume   125.13
_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
  Al  Al0  3  0.0  0.0  0.25  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.62  1.0

Al B Os
Al B Os 0 1 + o + 0 1 o + + 0 1 + + o 0 1 + + + 0 2 o o + 0 2 o + o 0 2 + o o 1 2 - o o 1 2 o - o 1 2 o o - 
OsAlB is alpha boron-derived structured and crystallizes in the trigonal R3m space group. Os(1) is bonded in a hexagonal planar geometry to three equivalent Al(1) and three equivalent B(1) atoms. All Os(1)-Al(1) bond lengths are 2.28 Å. All Os(1)-B(1) bond lengths are 2.28 Å. Al(1) is bonded to three equivalent Os(1) and four equivalent B(1) atoms to form distorted AlB4Os3 hexagonal pyramids that share corners with three equivalent B(1)Al4Os3 hexagonal pyramids, corners with six equivalent Al(1)B4Os3 hexagonal pyramids, edges with three equivalent B(1)Al4Os3 hexagonal pyramids, and edges with six equivalent Al(1)B4Os3 hexagonal pyramids. There is one shorter (2.36 Å) and three longer (2.39 Å) Al(1)-B(1) bond lengths. B(1) is bonded to three equivalent Os(1) and four equivalent Al(1) atoms to form distorted BAl4Os3 hexagonal pyramids that share corners with three equivalent Al(1)B4Os3 hexagonal pyramids, corners with six equivalent B(1)Al4Os3 hexagonal pyramids, edges with three equivalent Al(1)B4Os3 hexagonal pyramids, and edges with six equivalent B(1)Al4Os3 hexagonal pyramids.