data_Sb3TeC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3TeC
_chemical_formula_sum   'Sb3 Te1 C1'
_cell_volume   116.48
_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
  Sb  Sb0  1  0.0  0.44  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.44  1.0
  Sb  Sb2  1  0.44  0.0  0.0  1.0
  Te  Te4  1  0.44  0.44  0.44  1.0
  C  C3  1  0.0  0.0  0.0  1.0

data_Sb3TeC
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sb3TeC
_chemical_formula_sum   'Sb9 Te3 C3'
_cell_volume   349.43
_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
  Sb  Sb0  9  0.19  0.37  0.81  1.0
  Te  Te1  3  0.0  0.0  0.44  1.0
  C  C2  3  0.0  0.0  0.0  1.0

Sb Sb Sb Te C
Sb Sb Sb Te C 0 4 o o o 0 3 o o o 0 3 o o - 0 3 - o o 0 3 - o - 1 4 o o o 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 4 o o o 2 3 o o o 2 3 o o - 2 3 o - o 2 3 o - - 3 4 o o o 
CSb3Te crystallizes in the trigonal R3m space group. C(1) is bonded to six equivalent Sb(1) atoms to form corner-sharing CSb6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.16 Å) and three longer (2.73 Å) C(1)-Sb(1) bond lengths. Sb(1) is bonded in a 1-coordinate geometry to two equivalent C(1) and three equivalent Te(1) atoms. There is one shorter (3.05 Å) and two longer (3.48 Å) Sb(1)-Te(1) bond lengths. Te(1) is bonded in a 9-coordinate geometry to nine equivalent Sb(1) atoms.