data_ReBi4Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBi4Sb
_chemical_formula_sum   'Re1 Bi4 Sb1'
_cell_volume   184.43
_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  Re4  1  0.78  0.78  0.78  1.0
  Bi  Bi0  1  0.64  0.64  0.39  1.0
  Bi  Bi1  1  0.64  0.39  0.64  1.0
  Bi  Bi2  1  0.39  0.64  0.64  1.0
  Bi  Bi3  1  0.39  0.39  0.39  1.0
  Sb  Sb5  1  0.0  0.0  0.0  1.0

data_ReBi4Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   15.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReBi4Sb
_chemical_formula_sum   'Re3 Bi12 Sb3'
_cell_volume   553.29
_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
  Re  Re0  3  0.0  0.0  0.22  1.0
  Bi  Bi1  9  0.17  0.08  0.44  1.0
  Bi  Bi2  3  0.0  0.0  0.61  1.0
  Sb  Sb3  3  0.0  0.0  1.0  1.0

Re Bi Bi Bi Bi Sb
ReBi4Sb crystallizes in the trigonal R3m space group. Re(1) is bonded in a 7-coordinate geometry to six equivalent Bi(1) and one Sb(1) atom. There are three shorter (3.30 Å) and three longer (3.52 Å) Re(1)-Bi(1) bond lengths. The Re(1)-Sb(1) bond length is 3.49 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to two equivalent Re(1), one Bi(2), two equivalent Bi(1), and one Sb(1) atom. The Bi(1)-Bi(2) bond length is 2.80 Å. Both Bi(1)-Bi(1) bond lengths are 1.62 Å. The Bi(1)-Sb(1) bond length is 3.22 Å. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to three equivalent Bi(1) atoms. Sb(1) is bonded in a 4-coordinate geometry to one Re(1) and three equivalent Bi(1) atoms.