data_BOsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   4.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BOsSe
_chemical_formula_sum   'B1 Os1 Se1'
_cell_volume   45.79
_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  0.0  1.0
  Os  Os1  1  0.84  0.84  0.84  1.0
  Se  Se2  1  0.42  0.42  0.42  1.0

data_BOsSe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   9.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BOsSe
_chemical_formula_sum   'B3 Os3 Se3'
_cell_volume   137.36
_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
  B  B0  3  0.0  0.0  0.0  1.0
  Os  Os1  3  0.0  0.0  0.16  1.0
  Se  Se2  3  0.0  0.0  0.58  1.0

B Os Se
OsBSe crystallizes in the trigonal R3m space group. Os(1) is bonded to one B(1) and three equivalent Se(1) atoms to form distorted OsBSe3 tetrahedra that share corners with three equivalent B(1)OsSe3 tetrahedra, corners with six equivalent Os(1)BSe3 tetrahedra, and edges with three equivalent B(1)OsSe3 tetrahedra. The Os(1)-B(1) bond length is 1.58 Å. All Os(1)-Se(1) bond lengths are 2.47 Å. B(1) is bonded to one Os(1) and three equivalent Se(1) atoms to form distorted BOsSe3 tetrahedra that share corners with three equivalent Os(1)BSe3 tetrahedra, corners with six equivalent B(1)OsSe3 tetrahedra, and edges with three equivalent Os(1)BSe3 tetrahedra. All B(1)-Se(1) bond lengths are 2.47 Å. Se(1) is bonded in a 6-coordinate geometry to three equivalent Os(1) and three equivalent B(1) atoms.