data_SrSiSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSiSb4
_chemical_formula_sum   'Sr1 Si1 Sb4'
_cell_volume   175.58
_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  Sr5  1  0.22  0.22  0.22  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.57  0.32  0.32  1.0
  Sb  Sb1  1  0.32  0.32  0.57  1.0
  Sb  Sb2  1  0.32  0.57  0.32  1.0
  Sb  Sb3  1  0.57  0.57  0.57  1.0

data_SrSiSb4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   15.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrSiSb4
_chemical_formula_sum   'Sr3 Si3 Sb12'
_cell_volume   526.74
_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  0.78  1.0
  Si  Si1  3  0.0  0.0  0.0  1.0
  Sb  Sb2  9  0.08  0.16  0.6  1.0
  Sb  Sb3  3  0.0  0.0  0.43  1.0

Sr Si Sb Sb Sb Sb
Sr Si Sb Sb Sb Sb 0 1 o o o 0 4 o - o 0 4 o o o 0 2 - o o 0 2 o o o 0 5 - o o 0 5 o - o 0 5 o o - 0 3 o o - 0 3 o o o 1 2 - o o 1 4 o - o 1 3 o o - 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
SrSiSb4 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 10-coordinate geometry to one Si(1), three equivalent Sb(2), and six equivalent Sb(1) atoms. The Sr(1)-Si(1) bond length is 3.42 Å. All Sr(1)-Sb(2) bond lengths are 3.63 Å. There are three shorter (2.93 Å) and three longer (3.60 Å) Sr(1)-Sb(1) bond lengths. Si(1) is bonded in a distorted tetrahedral geometry to one Sr(1) and three equivalent Sb(1) atoms. All Si(1)-Sb(1) bond lengths are 2.94 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Sr(1) and three equivalent Sb(1) atoms. All Sb(2)-Sb(1) bond lengths are 2.68 Å. In the second Sb site, Sb(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), one Si(1), one Sb(2), and two equivalent Sb(1) atoms. Both Sb(1)-Sb(1) bond lengths are 1.55 Å.