data_HfNbVMoWC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.78
_cell_length_b   12.78
_cell_length_c   12.78
_cell_angle_alpha   14.11
_cell_angle_beta   14.11
_cell_angle_gamma   14.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbVMoWC5
_chemical_formula_sum   'Hf1 Nb1 V1 Mo1 W1 C5'
_cell_volume   107.84
_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
  Hf  Hf5  1  0.0  0.0  0.5  1.0
  Nb  Nb7  1  0.0  0.0  0.07  1.0
  V  V8  1  0.0  0.0  0.69  1.0
  Mo  Mo6  1  0.0  0.0  0.66  1.0
  W  W9  1  0.0  0.0  0.95  1.0
  C  C0  1  0.0  0.0  0.2  1.0
  C  C1  1  0.0  0.0  0.75  1.0
  C  C2  1  0.0  0.0  0.47  1.0
  C  C3  1  0.0  0.0  0.31  1.0
  C  C4  1  0.0  0.0  0.15  1.0

data_HfNbVMoWC5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   3.14
_cell_length_c   12.78
_cell_angle_alpha   90.0
_cell_angle_beta   98.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNbVMoWC5
_chemical_formula_sum   'Hf2 Nb2 V2 Mo2 W2 C10'
_cell_volume   215.69
_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
  Hf  Hf0  2  0.0  0.0  0.5  1.0
  Nb  Nb1  2  0.0  0.0  0.93  1.0
  V  V2  2  0.0  0.0  0.31  1.0
  Mo  Mo3  2  0.0  0.0  0.34  1.0
  W  W4  2  0.0  0.0  0.05  1.0
  C  C5  2  0.0  0.0  0.25  1.0
  C  C6  2  0.0  0.0  0.53  1.0
  C  C7  2  0.0  0.0  0.69  1.0
  C  C8  2  0.0  0.0  0.8  1.0
  C  C9  2  0.0  0.0  0.85  1.0

Hf Nb V Mo W C C C C C
Hf Nb V Mo W C C C C C 0 7 o o o 1 9 o o o 1 4 o o - 2 3 o o o 2 6 o o o 5 9 o o o 5 8 o o o 
HfNbWC4VMoC crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfNbWC4 clusters and two VMoC clusters. In each HfNbWC4 cluster, Hf(1) is bonded in a single-bond geometry to one C(3) atom. The Hf(1)-C(3) bond length is 0.29 Å. Nb(1) is bonded in a linear geometry to one W(1) and one C(5) atom. The Nb(1)-W(1) bond length is 1.50 Å. The Nb(1)-C(5) bond length is 1.03 Å. W(1) is bonded in a single-bond geometry to one Nb(1) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one C(4) and one C(5) atom. The C(1)-C(4) bond length is 1.42 Å. The C(1)-C(5) bond length is 0.58 Å. In the second C site, C(3) is bonded in a single-bond geometry to one Hf(1) and one C(4) atom. The C(3)-C(4) bond length is 2.11 Å. In the third C site, C(4) is bonded in a distorted linear geometry to one C(1) and one C(3) atom. In the fourth C site, C(5) is bonded in a linear geometry to one Nb(1) and one C(1) atom. In each VMoC cluster, V(1) is bonded in a linear geometry to one Mo(1) and one C(2) atom. The V(1)-Mo(1) bond length is 0.38 Å. The V(1)-C(2) bond length is 0.69 Å. Mo(1) is bonded in a single-bond geometry to one V(1) atom. C(2) is bonded in a single-bond geometry to one V(1) atom.