data_Sc4TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4TeCl
_chemical_formula_sum   'Sc4 Te1 Cl1'
_cell_volume   152.68
_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  0.29  0.29  0.19  1.0
  Sc  Sc2  1  0.29  0.19  0.29  1.0
  Sc  Sc3  1  0.19  0.29  0.29  1.0
  Sc  Sc4  1  0.19  0.19  0.19  1.0
  Te  Te5  1  0.36  0.36  0.36  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sc4TeCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   14.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sc4TeCl
_chemical_formula_sum   'Sc12 Te3 Cl3'
_cell_volume   458.03
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.07  0.03  0.74  1.0
  Sc  Sc1  3  0.0  0.0  0.81  1.0
  Te  Te2  3  0.0  0.0  0.64  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Sc Sc Sc Sc Te Cl
Sc Sc Sc Sc Te Cl 0 1 o o o 0 2 o o o 0 3 o o o 0 4 o o o 0 5 + o o 0 5 o + o 0 5 o o + 0 5 o o o 1 2 o o o 1 3 o o o 1 4 o o o 1 5 + o o 1 5 o + o 1 5 o o + 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o + o 2 5 + o o 2 5 o o + 2 5 o o o 3 5 o + o 3 5 + o o 3 5 o o + 3 5 o o o 4 5 + o o 4 5 o + o 4 5 o o + 
Sc4TeCl is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Sc4TeCl clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 2-coordinate geometry to one Sc(2), two equivalent Sc(1), and one Te(1) atom. The Sc(1)-Sc(2) bond length is 1.07 Å. Both Sc(1)-Sc(1) bond lengths are 0.62 Å. The Sc(1)-Te(1) bond length is 1.57 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to three equivalent Sc(1) and one Cl(1) atom. The Sc(2)-Cl(1) bond length is 2.80 Å. Te(1) is bonded in a 3-coordinate geometry to three equivalent Sc(1) atoms. Cl(1) is bonded in a single-bond geometry to one Sc(2) atom.