data_Re2AgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AgSb
_chemical_formula_sum   'Re2 Ag1 Sb1'
_cell_volume   66.88
_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  Re1  1  0.61  0.61  0.61  1.0
  Re  Re2  1  0.83  0.83  0.83  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.22  0.22  0.22  1.0

data_Re2AgSb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   11.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Re2AgSb
_chemical_formula_sum   'Re6 Ag3 Sb3'
_cell_volume   200.64
_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  0.17  1.0
  Re  Re1  3  0.0  0.0  0.39  1.0
  Ag  Ag2  3  0.0  0.0  0.0  1.0
  Sb  Sb3  3  0.0  0.0  0.78  1.0

Re Re Ag Sb
Re Re Ag Sb 0 1 o - o 0 1 - o o 0 1 o o - 0 1 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 1 2 + + + 1 3 + + o 1 3 + o + 1 3 o + + 2 3 o o o 2 3 o o - 2 3 - o o 2 3 o - o 
Re2AgSb crystallizes in the trigonal R3m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 7-coordinate geometry to one Re(2), three equivalent Ag(1), and three equivalent Sb(1) atoms. The Re(1)-Re(2) bond length is 2.47 Å. All Re(1)-Ag(1) bond lengths are 2.70 Å. All Re(1)-Sb(1) bond lengths are 2.70 Å. In the second Re site, Re(2) is bonded in a distorted single-bond geometry to one Re(1), one Ag(1), and three equivalent Sb(1) atoms. The Re(2)-Ag(1) bond length is 1.87 Å. All Re(2)-Sb(1) bond lengths are 2.70 Å. Ag(1) is bonded in a 2-coordinate geometry to one Re(2), three equivalent Re(1), and four equivalent Sb(1) atoms. There is one shorter (2.47 Å) and three longer (2.91 Å) Ag(1)-Sb(1) bond lengths. Sb(1) is bonded in a 10-coordinate geometry to three equivalent Re(1), three equivalent Re(2), and four equivalent Ag(1) atoms.