data_CaScSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   150.27
_cell_angle_beta   145.19
_cell_angle_gamma   46.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaScSi
_chemical_formula_sum   'Ca1 Sc1 Si1'
_cell_volume   73.48
_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
  Ca  Ca0  1  0.0  0.0  0.49  1.0
  Sc  Sc1  1  0.0  0.0  0.34  1.0
  Si  Si2  1  0.0  0.0  0.65  1.0

data_CaScSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.82
_cell_length_c   6.39
_cell_angle_alpha   107.4
_cell_angle_beta   104.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaScSi
_chemical_formula_sum   'Ca1 Sc1 Si1'
_cell_volume   73.48
_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
  Ca  Ca0  1  0.0  0.49  0.49  1.0
  Sc  Sc1  1  0.0  0.34  0.34  1.0
  Si  Si2  1  0.0  0.65  0.65  1.0

Ca Sc Si
CaScSi is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaScSi cluster. Ca(1) is bonded in a linear geometry to one Sc(1) and one Si(1) atom. The Ca(1)-Sc(1) bond length is 0.94 Å. The Ca(1)-Si(1) bond length is 1.06 Å. Sc(1) is bonded in a single-bond geometry to one Ca(1) atom. Si(1) is bonded in a single-bond geometry to one Ca(1) atom.