data_SrSc2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   4.72
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   103.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Cr
_chemical_formula_sum   'Sr1 Sc2 Cr1'
_cell_volume   110.88
_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
  Sr  Sr3  1  0.78  0.36  0.66  1.0
  Sc  Sc1  1  0.59  0.36  0.93  1.0
  Sc  Sc2  1  0.15  0.0  0.2  1.0
  Cr  Cr0  1  0.34  0.0  0.73  1.0

data_SrSc2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.72
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   103.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Cr
_chemical_formula_sum   'Sr1 Sc2 Cr1'
_cell_volume   110.88
_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
  Sr  Sr0  1  0.78  0.36  0.66  1.0
  Sc  Sc1  1  0.15  0.0  0.2  1.0
  Sc  Sc2  1  0.59  0.36  0.93  1.0
  Cr  Cr3  1  0.34  0.0  0.73  1.0

Sr Sc Sc Cr
SrSc2Cr crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 3-coordinate geometry to one Sc(1), two equivalent Sc(2), and two equivalent Cr(1) atoms. The Sr(1)-Sc(1) bond length is 2.14 Å. There is one shorter (3.89 Å) and one longer (4.17 Å) Sr(1)-Sc(2) bond length. There is one shorter (2.35 Å) and one longer (2.51 Å) Sr(1)-Cr(1) bond length. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 2-coordinate geometry to one Sr(1), three equivalent Sc(2), and one Cr(1) atom. There are a spread of Sc(1)-Sc(2) bond distances ranging from 2.92-3.84 Å. The Sc(1)-Cr(1) bond length is 2.28 Å. In the second Sc site, Sc(2) is bonded in a 9-coordinate geometry to two equivalent Sr(1), two equivalent Sc(2), three equivalent Sc(1), and two equivalent Cr(1) atoms. Both Sc(2)-Sc(2) bond lengths are 3.35 Å. There is one shorter (3.63 Å) and one longer (3.68 Å) Sc(2)-Cr(1) bond length. Cr(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one Sc(1), and two equivalent Sc(2) atoms.