data_ScVCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScVCl2
_chemical_formula_sum   'Sc1 V1 Cl2'
_cell_volume   61.78
_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  Sc2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.14  0.0  0.0  1.0
  Cl  Cl0  1  0.57  0.41  0.54  1.0
  Cl  Cl1  1  0.57  0.59  0.54  1.0

data_ScVCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.09
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScVCl2
_chemical_formula_sum   'Sc1 V1 Cl2'
_cell_volume   61.78
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  V  V1  1  -0.0  0.0  0.14  1.0
  Cl  Cl2  2  0.54  0.41  0.57  1.0

Sc V Cl Cl
Sc V Cl Cl 0 1 o o o 2 3 o o o 
ScVCl2 crystallizes in the monoclinic Pm space group. Sc(1) is bonded in a distorted single-bond geometry to one V(1) and four equivalent Cl(1) atoms. The Sc(1)-V(1) bond length is 0.65 Å. There are two shorter (3.00 Å) and two longer (3.14 Å) Sc(1)-Cl(1) bond lengths. V(1) is bonded in a single-bond geometry to one Sc(1) and four equivalent Cl(1) atoms. There are two shorter (3.00 Å) and two longer (3.14 Å) V(1)-Cl(1) bond lengths. Cl(1) is bonded in a 5-coordinate geometry to two equivalent Sc(1), two equivalent V(1), and one Cl(1) atom. The Cl(1)-Cl(1) bond length is 0.81 Å.