data_SrB2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrB2Sb
_chemical_formula_sum   'Sr1 B2 Sb1'
_cell_volume   83.71
_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
  Sr  Sr3  1  0.47  0.47  0.47  1.0
  B  B0  1  0.74  0.74  0.74  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.21  0.21  0.21  1.0

data_SrB2Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   12.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrB2Sb
_chemical_formula_sum   'Sr3 B6 Sb3'
_cell_volume   251.12
_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  0.53  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  B  B2  3  0.0  0.0  0.26  1.0
  Sb  Sb3  3  0.0  0.0  0.79  1.0

Sr B B Sb
SrB2Sb crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 11-coordinate geometry to three equivalent B(2), four equivalent B(1), and four equivalent Sb(1) atoms. All Sr(1)-B(2) bond lengths are 3.29 Å. There are three shorter (2.95 Å) and one longer (3.18 Å) Sr(1)-B(1) bond length. There are three shorter (2.95 Å) and one longer (3.18 Å) Sr(1)-Sb(1) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded to four equivalent Sr(1) atoms to form corner-sharing BSr4 tetrahedra. In the second B site, B(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Sb(1) atom. The B(2)-Sb(1) bond length is 2.50 Å. Sb(1) is bonded in a distorted pentagonal planar geometry to four equivalent Sr(1) and one B(2) atom.