data_BaScCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   120.94
_cell_angle_beta   120.94
_cell_angle_gamma   88.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaScCo2
_chemical_formula_sum   'Ba1 Sc1 Co2'
_cell_volume   78.38
_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  0.46  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.38  0.73  1.0
  Co  Co2  1  0.38  0.0  0.73  1.0

data_BaScCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   134.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaScCo2
_chemical_formula_sum   'Ba2 Sc2 Co4'
_cell_volume   156.76
_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  0.04  0.5  0.54  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Co  Co2  4  0.46  0.19  0.65  1.0

Ba Sc Co Co
BaScCo2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a distorted water-like geometry to two equivalent Sc(1) and two equivalent Co(1) atoms. There is one shorter (2.23 Å) and one longer (2.60 Å) Ba(1)-Sc(1) bond length. Both Ba(1)-Co(1) bond lengths are 1.61 Å. Sc(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent Co(1) atoms. There are two shorter (2.58 Å) and two longer (2.74 Å) Sc(1)-Co(1) bond lengths. Co(1) is bonded in a distorted single-bond geometry to one Ba(1) and two equivalent Sc(1) atoms.