data_Re4SiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re4SiAg
_chemical_formula_sum   'Re4 Si1 Ag1'
_cell_volume   99.23
_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  0.59  0.76  0.59  1.0
  Re  Re2  1  0.76  0.59  0.59  1.0
  Re  Re3  1  0.76  0.76  0.76  1.0
  Re  Re4  1  0.59  0.59  0.76  1.0
  Si  Si5  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.51  0.51  0.51  1.0

data_Re4SiAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Re4SiAg
_chemical_formula_sum   'Re12 Si3 Ag3'
_cell_volume   297.69
_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  9  0.06  0.11  0.35  1.0
  Si  Si1  3  0.0  0.0  0.0  1.0
  Re  Re2  3  0.0  0.0  0.24  1.0
  Ag  Ag3  3  0.0  0.0  0.49  1.0

Re Re Re Re Si Ag
Re Re Re Re Si Ag 0 3 o o o 0 1 o o o 0 2 o o o 0 4 + + o 0 4 o + + 0 5 o o o 1 3 o o o 1 2 o o o 1 4 + + o 1 4 + o + 1 5 o o o 2 3 o o o 2 4 + + + 2 4 + + o 2 4 o + + 2 4 + o + 3 4 + o + 3 4 o + + 3 5 o o o 
Re4AgSi crystallizes in the trigonal R3m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 2-coordinate geometry to one Re(2), two equivalent Re(1), one Ag(1), and two equivalent Si(1) atoms. The Re(1)-Re(2) bond length is 1.52 Å. Both Re(1)-Re(1) bond lengths are 0.88 Å. The Re(1)-Ag(1) bond length is 1.79 Å. Both Re(1)-Si(1) bond lengths are 2.79 Å. In the second Re site, Re(2) is bonded in a 3-coordinate geometry to three equivalent Re(1), three equivalent Ag(1), and one Si(1) atom. All Re(2)-Ag(1) bond lengths are 3.19 Å. The Re(2)-Si(1) bond length is 3.07 Å. Ag(1) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent Re(2) atoms. Si(1) is bonded in a 7-coordinate geometry to one Re(2) and six equivalent Re(1) atoms.