data_YSc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   141.99
_cell_angle_beta   141.99
_cell_angle_gamma   54.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Cl
_chemical_formula_sum   'Y1 Sc2 Cl1'
_cell_volume   102.29
_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
  Y  Y3  1  0.0  0.0  0.75  1.0
  Sc  Sc1  1  0.11  0.0  0.87  1.0
  Sc  Sc2  1  0.0  0.11  0.87  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_YSc2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   117.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSc2Cl
_chemical_formula_sum   'Y2 Sc4 Cl2'
_cell_volume   204.59
_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
  Y  Y0  2  0.25  0.5  0.75  1.0
  Sc  Sc1  4  0.32  0.45  0.77  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Y Sc Sc Cl
Y Sc Sc Cl 0 2 o o o 0 1 o o o 0 3 o o + 1 3 o o + 2 3 o o + 
YSc2Cl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YSc2Cl clusters. Y(1) is bonded in an L-shaped geometry to two equivalent Sc(1) atoms. Both Y(1)-Sc(1) bond lengths are 0.51 Å. Sc(1) is bonded in a distorted water-like geometry to one Y(1) and one Cl(1) atom. The Sc(1)-Cl(1) bond length is 1.44 Å. Cl(1) is bonded in a 2-coordinate geometry to two equivalent Sc(1) atoms.