data_Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc
_chemical_formula_sum   Sc20
_cell_volume   483.37
_cell_formula_units_Z   20
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  0.94  0.62  0.27  1.0
  Sc  Sc1  1  0.41  0.41  0.41  1.0
  Sc  Sc2  1  0.54  0.5  0.91  1.0
  Sc  Sc3  1  0.45  0.37  0.4  1.0
  Sc  Sc4  1  0.5  0.91  0.54  1.0
  Sc  Sc5  1  0.35  0.98  0.23  1.0
  Sc  Sc6  1  0.4  0.45  0.37  1.0
  Sc  Sc7  1  0.31  0.58  0.87  1.0
  Sc  Sc8  1  0.44  0.49  0.36  1.0
  Sc  Sc9  1  0.91  0.54  0.5  1.0
  Sc  Sc10  1  0.98  0.23  0.35  1.0
  Sc  Sc11  1  0.36  0.44  0.49  1.0
  Sc  Sc12  1  0.23  0.35  0.98  1.0
  Sc  Sc13  1  0.47  0.47  0.47  1.0
  Sc  Sc14  1  0.27  0.94  0.62  1.0
  Sc  Sc15  1  0.58  0.87  0.31  1.0
  Sc  Sc16  1  0.37  0.4  0.45  1.0
  Sc  Sc17  1  0.62  0.27  0.94  1.0
  Sc  Sc18  1  0.49  0.36  0.44  1.0
  Sc  Sc19  1  0.87  0.31  0.58  1.0

data_Sc
_symmetry_space_group_name_H-M   R3
_cell_length_a   11.1
_cell_length_b   11.1
_cell_length_c   13.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Sc
_chemical_formula_sum   Sc60
_cell_volume   1450.12
_cell_formula_units_Z   60
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.0  0.67  0.94  1.0
  Sc  Sc1  9  0.01  0.07  0.43  1.0
  Sc  Sc2  9  0.04  0.01  0.41  1.0
  Sc  Sc3  9  0.05  0.2  0.19  1.0
  Sc  Sc4  9  0.06  0.38  0.25  1.0
  Sc  Sc5  9  0.19  0.78  0.32  1.0
  Sc  Sc6  3  0.0  0.0  0.41  1.0
  Sc  Sc7  3  0.0  0.0  0.47  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc
Sc is alpha Rhenium trioxide-derived structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of twelve Sc clusters. In three of the Sc clusters, there are four inequivalent Sc sites. In the first Sc site, Sc(7) is bonded in a distorted single-bond geometry to one Sc(4) atom. The Sc(7)-Sc(4) bond length is 0.44 Å. In the second Sc site, Sc(2) is bonded in a distorted trigonal planar geometry to one Sc(8) and three equivalent Sc(4) atoms. The Sc(2)-Sc(8) bond length is 0.83 Å. All Sc(2)-Sc(4) bond lengths are 0.44 Å. In the third Sc site, Sc(4) is bonded in a single-bond geometry to one Sc(2) and one Sc(7) atom. In the fourth Sc site, Sc(8) is bonded in a single-bond geometry to one Sc(2) atom. In nine of the Sc clusters, there are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Sc(3) atom. The Sc(1)-Sc(3) bond length is 1.95 Å. In the second Sc site, Sc(3) is bonded in a distorted bent 120 degrees geometry to one Sc(1) and one Sc(6) atom. The Sc(3)-Sc(6) bond length is 1.95 Å. In the third Sc site, Sc(5) is bonded in a distorted single-bond geometry to one Sc(6) atom. The Sc(5)-Sc(6) bond length is 2.13 Å. In the fourth Sc site, Sc(6) is bonded in a distorted L-shaped geometry to one Sc(3) and one Sc(5) atom.