data_SrSc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc3
_chemical_formula_sum   'Sr1 Sc3'
_cell_volume   122.93
_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  0.0  0.0  0.34  1.0
  Sc  Sc0  1  0.88  0.88  0.05  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.88  0.88  0.63  1.0

data_SrSc3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSc3
_chemical_formula_sum   'Sr2 Sc6'
_cell_volume   245.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.34  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Sc  Sc2  2  0.38  0.5  0.05  1.0
  Sc  Sc3  2  0.38  0.5  0.63  1.0

Sr Sc Sc Sc
SrSc3 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two SrSc3 clusters. Sr(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one Sc(3) atom. The Sr(1)-Sc(1) bond length is 2.59 Å. The Sr(1)-Sc(3) bond length is 2.59 Å. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted water-like geometry to one Sr(1) and one Sc(2) atom. The Sc(1)-Sc(2) bond length is 0.74 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Sc(1) atom. In the third Sc site, Sc(3) is bonded in a single-bond geometry to one Sr(1) atom.