data_MnBOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   3.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBOs
_chemical_formula_sum   'Mn1 B1 Os1'
_cell_volume   38.15
_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
  Mn  Mn1  1  0.67  0.67  0.67  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.34  0.34  0.34  1.0

data_MnBOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnBOs
_chemical_formula_sum   'Mn3 B3 Os3'
_cell_volume   114.44
_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
  Mn  Mn0  3  0.0  0.0  0.33  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.66  1.0

Mn B Os
MnOsB crystallizes in the trigonal R3m space group. Mn(1) is bonded to four equivalent Os(1) and four equivalent B(1) atoms to form distorted MnB4Os4 hexagonal bipyramids that share corners with six equivalent Os(1)Mn4B3 hexagonal pyramids, edges with twelve equivalent Mn(1)B4Os4 hexagonal bipyramids, and edges with three equivalent Os(1)Mn4B3 hexagonal pyramids. There are three shorter (2.18 Å) and one longer (3.11 Å) Mn(1)-Os(1) bond length. There are three shorter (2.18 Å) and one longer (3.04 Å) Mn(1)-B(1) bond length. Os(1) is bonded to four equivalent Mn(1) and three equivalent B(1) atoms to form distorted OsMn4B3 hexagonal pyramids that share corners with six equivalent Mn(1)B4Os4 hexagonal bipyramids, corners with six equivalent Os(1)Mn4B3 hexagonal pyramids, edges with three equivalent Mn(1)B4Os4 hexagonal bipyramids, and edges with six equivalent Os(1)Mn4B3 hexagonal pyramids. All Os(1)-B(1) bond lengths are 2.18 Å. B(1) is bonded in a distorted hexagonal planar geometry to four equivalent Mn(1) and three equivalent Os(1) atoms.