data_ScNb4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb4Te
_chemical_formula_sum   'Sc1 Nb4 Te1'
_cell_volume   121.7
_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  Sc4  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.94  0.94  0.92  1.0
  Nb  Nb1  1  0.94  0.92  0.94  1.0
  Nb  Nb2  1  0.92  0.94  0.94  1.0
  Nb  Nb3  1  0.92  0.92  0.92  1.0
  Te  Te5  1  0.97  0.97  0.97  1.0

data_ScNb4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   13.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScNb4Te
_chemical_formula_sum   'Sc3 Nb12 Te3'
_cell_volume   365.09
_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  3  0.0  0.0  0.0  1.0
  Nb  Nb1  9  0.01  0.01  0.06  1.0
  Nb  Nb2  3  0.0  0.0  0.08  1.0
  Te  Te3  3  0.0  0.0  0.03  1.0

Sc Nb Nb Nb Nb Te
Sc Nb Nb Nb Nb Te 0 5 - - - 1 2 o o o 1 3 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
(Nb)4ScTe is alpha carbon monoxide-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three niobium molecules and three ScTe clusters. In each ScTe cluster, Sc(1) is bonded in a single-bond geometry to one Te(1) atom. The Sc(1)-Te(1) bond length is 0.45 Å. Te(1) is bonded in a distorted single-bond geometry to one Sc(1) atom.