data_BaSc2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   132.56
_cell_angle_beta   132.56
_cell_angle_gamma   69.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSc2Co
_chemical_formula_sum   'Ba1 Sc2 Co1'
_cell_volume   95.82
_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
  Ba  Ba0  1  0.0  0.0  0.64  1.0
  Sc  Sc2  1  0.27  0.0  0.32  1.0
  Sc  Sc3  1  0.0  0.27  0.32  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0

data_BaSc2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   124.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSc2Co
_chemical_formula_sum   'Ba2 Sc4 Co2'
_cell_volume   191.64
_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
  Ba  Ba0  2  0.0  0.0  0.64  1.0
  Sc  Sc1  4  0.36  0.36  0.05  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0

Ba Sc Sc Co
BaSc2Co crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaSc2Co clusters. Ba(1) is bonded in a single-bond geometry to one Co(1) atom. The Ba(1)-Co(1) bond length is 2.01 Å. Sc(1) is bonded in a single-bond geometry to one Co(1) atom. The Sc(1)-Co(1) bond length is 1.37 Å. Co(1) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Sc(1) atoms.