data_YSc2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Cr
_chemical_formula_sum   'Y1 Sc2 Cr1'
_cell_volume   87.13
_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  0.08  0.0  0.0  1.0
  Sc  Sc1  1  0.54  0.22  0.59  1.0
  Sc  Sc2  1  0.54  0.78  0.59  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_YSc2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   110.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Cr
_chemical_formula_sum   'Y1 Sc2 Cr1'
_cell_volume   87.13
_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  0.08  0.0  1.0
  Sc  Sc1  1  0.59  0.54  0.22  1.0
  Sc  Sc2  1  0.59  0.54  0.78  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Y Sc Sc Cr
YSc2Cr crystallizes in the triclinic P1 space group. Y(1) is bonded in a single-bond geometry to two equivalent Sc(1) and one Cr(1) atom. There is one shorter (2.68 Å) and one longer (3.00 Å) Y(1)-Sc(1) bond length. The Y(1)-Cr(1) bond length is 0.45 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent Sc(1), two equivalent Sc(2), and two equivalent Cr(1) atoms. Both Sc(1)-Sc(1) bond lengths are 3.18 Å. There is one shorter (2.40 Å) and one longer (3.01 Å) Sc(1)-Sc(2) bond length. There is one shorter (3.37 Å) and one longer (3.63 Å) Sc(1)-Cr(1) bond length. In the second Sc site, Sc(2) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and two equivalent Cr(1) atoms. There is one shorter (2.68 Å) and one longer (3.00 Å) Sc(2)-Cr(1) bond length. Cr(1) is bonded in a single-bond geometry to one Y(1), two equivalent Sc(1), and two equivalent Sc(2) atoms.