data_YScRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScRe2
_chemical_formula_sum   'Y1 Sc1 Re2'
_cell_volume   73.11
_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
  Y  Y3  1  0.0  0.0  0.63  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.66  0.0  0.04  1.0
  Re  Re1  1  0.66  0.0  0.22  1.0

data_YScRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScRe2
_chemical_formula_sum   'Y1 Sc1 Re2'
_cell_volume   73.11
_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
  Y  Y0  1  0.0  0.0  0.63  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.66  0.0  0.04  1.0
  Re  Re3  1  0.66  0.0  0.22  1.0

Y Sc Re Re
YScRe2 crystallizes in the triclinic P1 space group. Y(1) is bonded in a 8-coordinate geometry to six equivalent Y(1), one Sc(1), and one Re(2) atom. There are four shorter (2.90 Å) and two longer (3.33 Å) Y(1)-Y(1) bond lengths. The Y(1)-Sc(1) bond length is 3.45 Å. The Y(1)-Re(2) bond length is 3.93 Å. Sc(1) is bonded in a distorted single-bond geometry to one Y(1) and one Re(1) atom. The Sc(1)-Re(1) bond length is 1.04 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Re(2) atom. The Re(1)-Re(2) bond length is 1.64 Å. In the second Re site, Re(2) is bonded in a single-bond geometry to one Y(1) and one Re(1) atom.