data_Sc2TeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   33.03
_cell_angle_beta   33.03
_cell_angle_gamma   33.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TeAs
_chemical_formula_sum   'Sc2 Te1 As1'
_cell_volume   91.85
_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  0.0  0.0  0.7  1.0
  Sc  Sc2  1  0.0  0.0  0.22  1.0
  Te  Te3  1  0.0  0.0  0.96  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Sc2TeAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   4.0
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   109.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2TeAs
_chemical_formula_sum   'Sc4 Te2 As2'
_cell_volume   183.69
_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  -0.0  0.0  0.78  1.0
  Sc  Sc1  2  -0.0  0.0  0.3  1.0
  Te  Te2  2  -0.0  0.0  0.04  1.0
  As  As3  2  0.0  0.0  0.0  1.0

Sc Sc Te As
Sc Sc Te As 0 3 o o + 0 2 o o o 1 3 o o o 1 2 o o - 2 3 o o + 
Sc2AsTe is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sc2AsTe clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Te(1) atom. The Sc(1)-Te(1) bond length is 1.79 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one As(1) atom. The Sc(2)-As(1) bond length is 1.51 Å. As(1) is bonded in a linear geometry to one Sc(2) and one Te(1) atom. The As(1)-Te(1) bond length is 0.28 Å. Te(1) is bonded in a linear geometry to one Sc(1) and one As(1) atom.