data_ZrRe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.54
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   100.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRe2W
_chemical_formula_sum   'Zr1 Re2 W1'
_cell_volume   66.72
_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
  Zr  Zr3  1  0.96  0.0  0.95  1.0
  Re  Re0  1  0.0  0.27  0.01  1.0
  Re  Re1  1  0.84  0.0  0.34  1.0
  W  W2  1  0.95  0.27  0.56  1.0

data_ZrRe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.54
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   100.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRe2W
_chemical_formula_sum   'Zr1 Re2 W1'
_cell_volume   66.72
_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
  Zr  Zr0  1  0.96  0.0  0.95  1.0
  Re  Re1  1  0.0  0.27  0.01  1.0
  Re  Re2  1  0.84  0.0  0.34  1.0
  W  W3  1  0.95  0.27  0.56  1.0

Zr Re Re W
Zr Re Re W 0 1 + o + 2 3 o o o 
ZrWRe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrWRe2 cluster. Zr(1) is bonded in a distorted single-bond geometry to one Re(1) and one Re(2) atom. The Zr(1)-Re(1) bond length is 1.28 Å. The Zr(1)-Re(2) bond length is 2.15 Å. W(1) is bonded in a distorted single-bond geometry to one Re(2) atom. The W(1)-Re(2) bond length is 1.69 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Re site, Re(2) is bonded in a 2-coordinate geometry to one Zr(1) and one W(1) atom.