data_ReAg4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg4W
_chemical_formula_sum   'Re1 Ag4 W1'
_cell_volume   101.28
_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  0.55  0.55  0.55  1.0
  Ag  Ag0  1  0.62  0.62  0.77  1.0
  Ag  Ag1  1  0.62  0.77  0.62  1.0
  Ag  Ag2  1  0.77  0.62  0.62  1.0
  Ag  Ag3  1  0.77  0.77  0.77  1.0
  W  W5  1  0.0  0.0  0.0  1.0

data_ReAg4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   12.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReAg4W
_chemical_formula_sum   'Re3 Ag12 W3'
_cell_volume   303.85
_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  0.45  1.0
  Ag  Ag1  9  0.05  0.1  0.33  1.0
  Ag  Ag2  3  0.0  0.0  0.23  1.0
  W  W3  3  0.0  0.0  -0.0  1.0

Re Ag Ag Ag Ag W
Re Ag Ag Ag Ag W 0 3 o o o 0 2 o o o 0 1 o o o 0 5 + + o 0 5 + o + 0 5 o + + 1 3 o o o 1 2 o o o 1 4 o o o 1 5 + o + 1 5 o + + 2 3 o o o 2 4 o o o 2 5 + + o 2 5 o + + 3 4 o o o 3 5 + + o 3 5 + o + 4 5 + + + 4 5 + + o 4 5 o + + 4 5 + o + 
WReAg4 crystallizes in the trigonal R3m space group. W(1) is bonded in a 7-coordinate geometry to one Ag(2) and six equivalent Ag(1) atoms. The W(1)-Ag(2) bond length is 2.88 Å. All W(1)-Ag(1) bond lengths are 2.82 Å. Re(1) is bonded in a 3-coordinate geometry to three equivalent Ag(1) atoms. All Re(1)-Ag(1) bond lengths are 1.67 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to two equivalent W(1), one Re(1), one Ag(2), and two equivalent Ag(1) atoms. The Ag(1)-Ag(2) bond length is 1.36 Å. Both Ag(1)-Ag(1) bond lengths are 0.79 Å. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one W(1) and three equivalent Ag(1) atoms.