data_TiCdFeC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   4.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdFeC
_chemical_formula_sum   'Ti1 Cd1 Fe1 C1'
_cell_volume   51.55
_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
  Ti  Ti0  1  0.48  0.48  0.48  1.0
  Cd  Cd2  1  0.95  0.95  0.95  1.0
  Fe  Fe1  1  0.43  0.43  0.43  1.0
  C  C3  1  0.0  0.0  0.0  1.0

data_TiCdFeC
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   10.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TiCdFeC
_chemical_formula_sum   'Ti3 Cd3 Fe3 C3'
_cell_volume   154.64
_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
  Ti  Ti0  3  0.0  0.0  0.52  1.0
  Cd  Cd1  3  0.0  0.0  0.05  1.0
  Fe  Fe2  3  0.0  0.0  0.57  1.0
  C  C3  3  0.0  0.0  0.0  1.0

Ti Cd Fe C
FeTiCdC is alpha carbon monoxide-derived structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three CdC clusters and three FeTi clusters. In each CdC cluster, Cd(1) is bonded in a single-bond geometry to one C(1) atom. The Cd(1)-C(1) bond length is 0.47 Å. C(1) is bonded in a single-bond geometry to one Cd(1) atom. In each FeTi cluster, Ti(1) is bonded in a single-bond geometry to one Fe(1) atom. The Ti(1)-Fe(1) bond length is 0.47 Å. Fe(1) is bonded in a single-bond geometry to one Ti(1) atom.