data_Sc2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TeCl
_chemical_formula_sum   'Sc2 Te1 Cl1'
_cell_volume   96.93
_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  Sc1  1  0.85  0.0  0.1  1.0
  Sc  Sc2  1  0.85  0.0  0.32  1.0
  Te  Te3  1  0.0  0.0  0.21  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sc2TeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.62
_cell_length_b   6.35
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2TeCl
_chemical_formula_sum   'Sc4 Te2 Cl2'
_cell_volume   193.9
_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
  Sc  Sc0  2  0.35  0.5  0.1  1.0
  Sc  Sc1  2  0.35  0.5  0.32  1.0
  Te  Te2  2  0.0  0.0  0.21  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Sc Sc Te Cl
Sc Sc Te Cl 0 3 + o o 0 2 + o o 1 2 + o o 
Sc2TeCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc2TeCl cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a bent 120 degrees geometry to one Te(1) and one Cl(1) atom. The Sc(1)-Te(1) bond length is 1.08 Å. The Sc(1)-Cl(1) bond length is 1.03 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Te(1) atom. The Sc(2)-Te(1) bond length is 1.08 Å. Te(1) is bonded in a bent 120 degrees geometry to one Sc(1) and one Sc(2) atom. Cl(1) is bonded in a single-bond geometry to one Sc(1) atom.