data_Sc2VRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   145.79
_cell_angle_beta   129.55
_cell_angle_gamma   62.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2VRe
_chemical_formula_sum   'Sc2 V1 Re1'
_cell_volume   73.68
_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
  Sc  Sc1  1  0.0  0.0  0.54  1.0
  Sc  Sc2  1  0.0  0.37  0.45  1.0
  V  V3  1  0.0  0.0  0.38  1.0
  Re  Re0  1  0.63  0.0  0.14  1.0

data_Sc2VRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.74
_cell_length_c   5.56
_cell_angle_alpha   115.23
_cell_angle_beta   107.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2VRe
_chemical_formula_sum   'Sc2 V1 Re1'
_cell_volume   73.68
_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
  Sc  Sc0  1  0.46  0.46  0.46  1.0
  Sc  Sc1  1  0.55  0.92  0.92  1.0
  V  V2  1  0.62  0.62  0.62  1.0
  Re  Re3  1  0.49  0.86  0.49  1.0

Sc Sc V Re
Sc Sc V Re 0 2 o o o 0 3 - o o 1 2 o o o 2 3 - o o 
Sc2VRe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc2VRe cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one V(1) atom. The Sc(1)-V(1) bond length is 0.91 Å. In the second Sc site, Sc(2) is bonded in a 1-coordinate geometry to one V(1) atom. The Sc(2)-V(1) bond length is 1.74 Å. V(1) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(2), and one Re(1) atom. The V(1)-Re(1) bond length is 1.57 Å. Re(1) is bonded in a distorted single-bond geometry to one V(1) atom.