data_Ta6Cr3Ni3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08
_cell_length_b   8.08
_cell_length_c   8.08
_cell_angle_alpha   120.47
_cell_angle_beta   119.71
_cell_angle_gamma   89.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Cr3Ni3C2
_chemical_formula_sum   'Ta12 Cr6 Ni6 C4'
_cell_volume   373.05
_cell_formula_units_Z   2
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
  Ta  Ta0  1  0.0  0.0  0.81  1.0
  Ta  Ta1  1  0.0  0.0  0.8  1.0
  Ta  Ta2  1  0.55  0.49  0.29  1.0
  Ta  Ta3  1  0.47  0.57  0.56  1.0
  Ta  Ta4  1  0.56  0.57  0.56  1.0
  Ta  Ta5  1  0.45  0.49  0.29  1.0
  Ta  Ta6  1  0.01  0.0  0.95  1.0
  Ta  Ta7  1  0.0  0.06  0.64  1.0
  Ta  Ta8  1  0.47  0.56  0.15  1.0
  Ta  Ta9  1  0.55  0.5  0.43  1.0
  Ta  Ta10  1  0.47  0.44  0.15  1.0
  Ta  Ta11  1  0.55  0.62  0.43  1.0
  Cr  Cr12  1  0.01  0.01  0.01  1.0
  Cr  Cr13  1  0.0  0.05  0.73  1.0
  Cr  Cr14  1  0.98  0.0  0.85  1.0
  Cr  Cr15  1  0.03  0.06  0.13  1.0
  Cr  Cr16  1  0.0  0.25  0.42  1.0
  Cr  Cr17  1  0.01  0.81  0.69  1.0
  Ni  Ni18  1  0.75  0.06  0.48  1.0
  Ni  Ni19  1  0.27  0.0  0.2  1.0
  Ni  Ni20  1  0.01  0.71  0.33  1.0
  Ni  Ni21  1  0.01  0.29  0.33  1.0
  Ni  Ni22  1  0.29  0.0  0.52  1.0
  Ni  Ni23  1  0.74  0.0  0.52  1.0
  C  C24  1  0.01  0.02  0.72  1.0
  C  C25  1  0.01  0.98  0.72  1.0
  C  C26  1  0.01  0.0  0.58  1.0
  C  C27  1  0.01  0.06  0.85  1.0

data_Ta6Cr3Ni3C2
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.03
_cell_length_b   8.08
_cell_length_c   8.08
_cell_angle_alpha   60.29
_cell_angle_beta   60.23
_cell_angle_gamma   60.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Cr3Ni3C2
_chemical_formula_sum   'Ta12 Cr6 Ni6 C4'
_cell_volume   373.05
_cell_formula_units_Z   2
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
  Ta  Ta0  1  0.0  0.0  0.8  1.0
  Ta  Ta1  1  0.0  0.0  0.81  1.0
  Ta  Ta2  1  0.0  0.99  0.95  1.0
  Ta  Ta3  1  0.06  0.0  0.58  1.0
  Ta  Ta4  1  0.44  0.53  0.71  1.0
  Ta  Ta5  1  0.49  0.55  0.8  1.0
  Ta  Ta6  1  0.49  0.45  0.8  1.0
  Ta  Ta7  1  0.5  0.45  0.93  1.0
  Ta  Ta8  1  0.56  0.53  0.59  1.0
  Ta  Ta9  1  0.57  0.44  0.99  1.0
  Ta  Ta10  1  0.57  0.53  0.99  1.0
  Ta  Ta11  1  0.62  0.45  0.8  1.0
  Cr  Cr12  1  0.0  0.02  0.85  1.0
  Cr  Cr13  1  0.01  0.99  1.0  1.0
  Cr  Cr14  1  0.05  0.0  0.68  1.0
  Cr  Cr15  1  0.06  0.97  0.07  1.0
  Cr  Cr16  1  0.25  0.0  0.17  1.0
  Cr  Cr17  1  0.81  0.99  0.88  1.0
  Ni  Ni18  1  0.0  0.26  0.52  1.0
  Ni  Ni19  1  0.0  0.71  0.52  1.0
  Ni  Ni20  1  0.0  0.73  0.2  1.0
  Ni  Ni21  1  0.06  0.25  0.42  1.0
  Ni  Ni22  1  0.29  0.99  0.04  1.0
  Ni  Ni23  1  0.71  0.99  0.62  1.0
  C  C24  1  0.0  0.99  0.58  1.0
  C  C25  1  0.02  0.99  0.7  1.0
  C  C26  1  0.06  0.99  0.79  1.0
  C  C27  1  0.98  0.99  0.74  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Cr Cr Cr Cr Cr Cr Ni Ni Ni Ni Ni Ni C C C C
Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Cr Cr Cr Cr Cr Cr Ni Ni Ni Ni Ni Ni C C C C 0 1 o o o 0 14 - o o 0 17 o - o 0 27 o o o 1 17 o - o 1 27 o o o 2 10 o o o 2 5 o o o 2 9 o o o 2 11 o o o 3 4 o o o 4 9 o o o 5 9 o o o 5 11 o o o 6 12 o o + 6 19 o o + 7 26 o o o 7 20 o - o 7 22 o o o 8 10 o o o 9 11 o o o 12 15 o o o 12 19 o o o 13 24 o o o 14 17 + - o 15 19 o o o 16 21 o o o 17 24 o + o 17 25 o o o 17 20 o o o 18 23 o o o 19 22 o o o 20 26 o + o 20 24 o + o 20 25 o o o 20 22 o + o 22 26 o o o 24 25 o - o 
(Ta)8Ta3Cr6Ni2C3TaNi2C(Ni)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ni cluster, one Ta cluster, one Ta3Cr6Ni2C3 cluster, and one TaNi2C cluster. In the Ni cluster, there are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Ni(6) atom. The Ni(1)-Ni(6) bond length is 0.69 Å. In the second Ni site, Ni(6) is bonded in a 1-coordinate geometry to one Ni(1) atom. In the Ta cluster, there are eight inequivalent Ta sites. In the first Ta site, Ta(3) is bonded in a distorted single-bond geometry to one Ta(11), one Ta(12), and one Ta(6) atom. The Ta(3)-Ta(11) bond length is 0.80 Å. The Ta(3)-Ta(12) bond length is 1.11 Å. The Ta(3)-Ta(6) bond length is 0.78 Å. In the second Ta site, Ta(4) is bonded in a distorted single-bond geometry to one Ta(5) atom. The Ta(4)-Ta(5) bond length is 0.78 Å. In the third Ta site, Ta(5) is bonded in a distorted bent 120 degrees geometry to one Ta(10) and one Ta(4) atom. The Ta(5)-Ta(10) bond length is 0.89 Å. In the fourth Ta site, Ta(6) is bonded in a distorted single-bond geometry to one Ta(10), one Ta(11), one Ta(12), and one Ta(3) atom. The Ta(6)-Ta(10) bond length is 0.96 Å. The Ta(6)-Ta(11) bond length is 1.03 Å. The Ta(6)-Ta(12) bond length is 0.98 Å. In the fifth Ta site, Ta(9) is bonded in a distorted single-bond geometry to one Ta(11) atom. The Ta(9)-Ta(11) bond length is 1.01 Å. In the sixth Ta site, Ta(10) is bonded in a 3-coordinate geometry to one Ta(12), one Ta(5), and one Ta(6) atom. The Ta(10)-Ta(12) bond length is 1.01 Å. In the seventh Ta site, Ta(11) is bonded in a 3-coordinate geometry to one Ta(3), one Ta(6), and one Ta(9) atom. In the eighth Ta site, Ta(12) is bonded in a 3-coordinate geometry to one Ta(10), one Ta(3), and one Ta(6) atom. In the Ta3Cr6Ni2C3 cluster, there are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted T-shaped geometry to one Ta(2), one Cr(3), and one C(4) atom. The Ta(1)-Ta(2) bond length is 0.14 Å. The Ta(1)-Cr(3) bond length is 0.38 Å. The Ta(1)-C(4) bond length is 0.40 Å. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one Ta(1), one C(2), and one C(4) atom. The Ta(2)-C(2) bond length is 0.62 Å. The Ta(2)-C(4) bond length is 0.44 Å. In the third Ta site, Ta(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. The Ta(7)-Cr(1) bond length is 0.43 Å. The Ta(7)-Cr(3) bond length is 0.73 Å. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Ta(7) and one Cr(4) atom. The Cr(1)-Cr(4) bond length is 0.74 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one C(1) atom. The Cr(2)-C(1) bond length is 0.28 Å. In the third Cr site, Cr(3) is bonded in a distorted single-bond geometry to one Ta(1), one Ta(7), and one C(4) atom. The Cr(3)-C(4) bond length is 0.51 Å. In the fourth Cr site, Cr(4) is bonded in a 3-coordinate geometry to one Cr(1), one Ni(2), and one Ni(4) atom. The Cr(4)-Ni(2) bond length is 1.83 Å. The Cr(4)-Ni(4) bond length is 1.83 Å. In the fifth Cr site, Cr(5) is bonded in a single-bond geometry to one Ni(4) atom. The Cr(5)-Ni(4) bond length is 0.93 Å. In the sixth Cr site, Cr(6) is bonded in a distorted single-bond geometry to one C(2) atom. The Cr(6)-C(2) bond length is 1.28 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Cr(4) atom. In the second Ni site, Ni(4) is bonded in a 2-coordinate geometry to one Cr(4) and one Cr(5) atom. There are three inequivalent C sites. In the first C site, C(1) is bonded in a single-bond geometry to one Cr(2) and one C(2) atom. The C(1)-C(2) bond length is 0.30 Å. In the second C site, C(2) is bonded in a 2-coordinate geometry to one Ta(2), one Cr(6), and one C(1) atom. In the third C site, C(4) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Cr(3) atom. In the TaNi2C cluster, Ta(8) is bonded in a single-bond geometry to one C(3) atom. The Ta(8)-C(3) bond length is 0.52 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(3) is bonded in a distorted single-bond geometry to one C(3) atom. The Ni(3)-C(3) bond length is 2.20 Å. In the second Ni site, Ni(5) is bonded in a 1-coordinate geometry to one C(3) atom. The Ni(5)-C(3) bond length is 2.57 Å. C(3) is bonded in a single-bond geometry to one Ta(8), one Ni(3), and one Ni(5) atom.