data_ScCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   116.62
_cell_angle_beta   116.62
_cell_angle_gamma   116.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo3
_chemical_formula_sum   'Sc1 Co3'
_cell_volume   51.51
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.04  0.82  0.89  1.0
  Co  Co1  1  0.0  0.36  0.89  1.0
  Co  Co2  1  0.96  0.82  0.89  1.0

data_ScCo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   116.62
_cell_angle_beta   100.72
_cell_angle_gamma   100.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo3
_chemical_formula_sum   'Sc1 Co3'
_cell_volume   51.51
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.89  0.89  0.54  1.0
  Co  Co2  1  0.89  0.85  0.07  1.0
  Co  Co3  1  0.89  0.93  0.07  1.0

Sc Co Co Co
Sc Co Co Co 0 3 - - - 0 2 o o - 1 3 - o o 1 2 o o o 2 3 - o o 2 3 - - o 
ScCo3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScCo3 cluster. Sc(1) is bonded in a distorted single-bond geometry to one Co(2) and one Co(3) atom. The Sc(1)-Co(2) bond length is 2.00 Å. The Sc(1)-Co(3) bond length is 0.63 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Co(3) atom. The Co(1)-Co(3) bond length is 0.40 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Sc(1) atom. In the third Co site, Co(3) is bonded in a distorted bent 120 degrees geometry to one Sc(1) and one Co(1) atom.