data_ReSi4Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi4Sb
_chemical_formula_sum   'Re1 Si4 Sb1'
_cell_volume   95.98
_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
  Re  Re0  1  0.45  0.45  0.45  1.0
  Si  Si2  1  0.54  0.54  0.73  1.0
  Si  Si3  1  0.54  0.73  0.54  1.0
  Si  Si4  1  0.73  0.54  0.54  1.0
  Si  Si5  1  0.73  0.73  0.73  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0

data_ReSi4Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReSi4Sb
_chemical_formula_sum   'Re3 Si12 Sb3'
_cell_volume   287.94
_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
  Si  Si0  9  0.06  0.13  0.4  1.0
  Si  Si1  3  0.0  0.0  0.27  1.0
  Re  Re2  3  0.0  0.0  0.55  1.0
  Sb  Sb3  3  0.0  0.0  0.0  1.0

Re Si Si Si Si Sb
ReSi4Sb crystallizes in the trigonal R3m space group. Re(1) is bonded in a 9-coordinate geometry to three equivalent Si(1), three equivalent Si(2), and three equivalent Sb(1) atoms. All Re(1)-Si(1) bond lengths are 1.99 Å. All Re(1)-Si(2) bond lengths are 3.05 Å. All Re(1)-Sb(1) bond lengths are 3.32 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 2-coordinate geometry to one Re(1), one Si(2), two equivalent Si(1), and two equivalent Sb(1) atoms. The Si(1)-Si(2) bond length is 1.69 Å. Both Si(1)-Si(1) bond lengths are 0.97 Å. Both Si(1)-Sb(1) bond lengths are 2.85 Å. In the second Si site, Si(2) is bonded in a 3-coordinate geometry to three equivalent Re(1), three equivalent Si(1), and three equivalent Sb(1) atoms. All Si(2)-Sb(1) bond lengths are 3.07 Å. Sb(1) is bonded in a 12-coordinate geometry to three equivalent Re(1), three equivalent Si(2), and six equivalent Si(1) atoms.