data_CrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   16.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2
_chemical_formula_sum   'Cr8 Tc16'
_cell_volume   361.49
_cell_formula_units_Z   8
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
  Cr  Cr0  1  0.0  0.0  0.44  1.0
  Cr  Cr1  1  0.0  0.0  0.95  1.0
  Cr  Cr2  1  0.0  0.0  0.64  1.0
  Cr  Cr3  1  0.0  0.0  0.75  1.0
  Cr  Cr4  1  0.52  0.46  0.83  1.0
  Cr  Cr5  1  0.0  0.91  0.56  1.0
  Cr  Cr6  1  0.0  0.91  0.63  1.0
  Cr  Cr7  1  0.52  0.46  0.76  1.0
  Tc  Tc8  1  0.52  0.46  0.09  1.0
  Tc  Tc9  1  0.0  0.91  0.3  1.0
  Tc  Tc10  1  0.0  0.91  0.29  1.0
  Tc  Tc11  1  0.52  0.46  0.1  1.0
  Tc  Tc12  1  0.74  0.19  0.0  1.0
  Tc  Tc13  1  0.26  0.19  0.0  1.0
  Tc  Tc14  1  0.52  0.0  0.0  1.0
  Tc  Tc15  1  0.74  0.19  0.19  1.0
  Tc  Tc16  1  0.26  0.19  0.19  1.0
  Tc  Tc17  1  0.52  0.0  0.19  1.0
  Tc  Tc18  1  0.2  0.69  0.1  1.0
  Tc  Tc19  1  0.85  0.69  0.1  1.0
  Tc  Tc20  1  0.52  0.98  0.1  1.0
  Tc  Tc21  1  0.32  0.68  0.29  1.0
  Tc  Tc22  1  0.68  0.68  0.29  1.0
  Tc  Tc23  1  0.0  0.39  0.29  1.0

data_CrTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   16.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTc2
_chemical_formula_sum   'Cr8 Tc16'
_cell_volume   361.49
_cell_formula_units_Z   8
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
  Cr  Cr0  1  -0.0  0.91  0.56  1.0
  Cr  Cr1  1  -0.0  0.91  0.63  1.0
  Cr  Cr2  1  0.0  0.0  0.44  1.0
  Cr  Cr3  1  0.0  0.0  0.64  1.0
  Cr  Cr4  1  0.0  0.0  0.75  1.0
  Cr  Cr5  1  0.0  0.0  0.95  1.0
  Cr  Cr6  1  0.52  0.46  0.76  1.0
  Cr  Cr7  1  0.52  0.46  0.83  1.0
  Tc  Tc8  1  -0.0  0.91  0.29  1.0
  Tc  Tc9  1  -0.0  0.91  0.3  1.0
  Tc  Tc10  1  -0.0  0.39  0.29  1.0
  Tc  Tc11  1  0.2  0.69  0.1  1.0
  Tc  Tc12  1  0.26  0.19  0.0  1.0
  Tc  Tc13  1  0.26  0.19  0.19  1.0
  Tc  Tc14  1  0.32  0.68  0.29  1.0
  Tc  Tc15  1  0.52  0.0  0.0  1.0
  Tc  Tc16  1  0.52  0.0  0.19  1.0
  Tc  Tc17  1  0.52  0.46  0.09  1.0
  Tc  Tc18  1  0.52  0.46  0.1  1.0
  Tc  Tc19  1  0.52  0.98  0.1  1.0
  Tc  Tc20  1  0.68  0.68  0.29  1.0
  Tc  Tc21  1  0.74  0.19  0.0  1.0
  Tc  Tc22  1  0.74  0.19  0.19  1.0
  Tc  Tc23  1  0.85  0.69  0.1  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc
Cr Cr Cr Cr Cr Cr Cr Cr Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc 0 10 o - o 0 9 o - o 0 5 o - o 1 13 o o + 2 6 o - o 2 3 o o o 2 5 o - o 3 6 o - o 4 7 o o o 5 6 o o o 8 11 o o o 8 16 o o o 8 19 o o o 9 10 o o o 9 16 o + o 9 22 - o o 10 16 o + o 10 22 - o o 11 16 o o o 11 19 o o o 12 14 o o o 14 20 o - o 15 17 o o o 15 16 o o o 16 17 o o o 17 20 o - o 18 19 - o o 18 20 o o o 21 23 o o o 21 22 o o o 
CrTc2 crystallizes in the triclinic P1 space group. There are eight inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to one Cr(6), one Tc(15), one Tc(16), and one Tc(2) atom. The Cr(1)-Cr(6) bond length is 2.04 Å. The Cr(1)-Tc(15) bond length is 2.94 Å. The Cr(1)-Tc(16) bond length is 3.12 Å. The Cr(1)-Tc(2) bond length is 2.43 Å. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to one Cr(4), one Tc(12), and one Tc(6) atom. The Cr(2)-Cr(4) bond length is 3.19 Å. The Cr(2)-Tc(12) bond length is 2.79 Å. The Cr(2)-Tc(6) bond length is 1.45 Å. In the third Cr site, Cr(3) is bonded in a single-bond geometry to one Cr(4), one Cr(6), and one Cr(7) atom. The Cr(3)-Cr(4) bond length is 1.94 Å. The Cr(3)-Cr(6) bond length is 1.27 Å. The Cr(3)-Cr(7) bond length is 0.44 Å. In the fourth Cr site, Cr(4) is bonded to one Cr(2), one Cr(3), one Cr(7), two equivalent Cr(5), and two equivalent Cr(8) atoms to form distorted edge-sharing CrCr7 pentagonal bipyramids. The Cr(4)-Cr(7) bond length is 2.04 Å. There is one shorter (2.76 Å) and one longer (2.85 Å) Cr(4)-Cr(5) bond length. There is one shorter (2.49 Å) and one longer (2.59 Å) Cr(4)-Cr(8) bond length. In the fifth Cr site, Cr(5) is bonded in a single-bond geometry to one Cr(8) and two equivalent Cr(4) atoms. The Cr(5)-Cr(8) bond length is 1.14 Å. In the sixth Cr site, Cr(6) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(3), and one Cr(7) atom. The Cr(6)-Cr(7) bond length is 1.14 Å. In the seventh Cr site, Cr(7) is bonded in a single-bond geometry to one Cr(3), one Cr(4), and one Cr(6) atom. In the eighth Cr site, Cr(8) is bonded in a single-bond geometry to one Cr(5) and two equivalent Cr(4) atoms. There are sixteen inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Tc(12) and one Tc(4) atom. The Tc(1)-Tc(12) bond length is 1.46 Å. The Tc(1)-Tc(4) bond length is 0.11 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Cr(1), one Tc(15), and one Tc(3) atom. The Tc(2)-Tc(15) bond length is 1.46 Å. The Tc(2)-Tc(3) bond length is 0.11 Å. In the third Tc site, Tc(3) is bonded in a single-bond geometry to one Tc(15), one Tc(2), and one Tc(9) atom. The Tc(3)-Tc(15) bond length is 1.46 Å. The Tc(3)-Tc(9) bond length is 2.05 Å. In the fourth Tc site, Tc(4) is bonded in a single-bond geometry to one Tc(1), one Tc(12), and one Tc(9) atom. The Tc(4)-Tc(12) bond length is 1.46 Å. The Tc(4)-Tc(9) bond length is 2.05 Å. In the fifth Tc site, Tc(5) is bonded in a 1-coordinate geometry to one Tc(7) atom. The Tc(5)-Tc(7) bond length is 1.02 Å. In the sixth Tc site, Tc(6) is bonded in a distorted single-bond geometry to one Cr(2) and one Tc(7) atom. The Tc(6)-Tc(7) bond length is 1.96 Å. In the seventh Tc site, Tc(7) is bonded in a 3-coordinate geometry to one Tc(13), one Tc(5), and one Tc(6) atom. The Tc(7)-Tc(13) bond length is 1.60 Å. In the eighth Tc site, Tc(8) is bonded in a distorted single-bond geometry to one Tc(10) and one Tc(16) atom. The Tc(8)-Tc(10) bond length is 1.02 Å. The Tc(8)-Tc(16) bond length is 1.99 Å. In the ninth Tc site, Tc(9) is bonded in a distorted T-shaped geometry to one Tc(10), one Tc(3), and one Tc(4) atom. The Tc(9)-Tc(10) bond length is 1.96 Å. In the tenth Tc site, Tc(10) is bonded in a 1-coordinate geometry to one Tc(13), one Tc(14), one Tc(8), and one Tc(9) atom. The Tc(10)-Tc(13) bond length is 1.60 Å. The Tc(10)-Tc(14) bond length is 2.14 Å. In the eleventh Tc site, Tc(11) is bonded in a distorted bent 120 degrees geometry to one Tc(12) and one Tc(13) atom. The Tc(11)-Tc(12) bond length is 1.78 Å. The Tc(11)-Tc(13) bond length is 1.56 Å. In the twelfth Tc site, Tc(12) is bonded in a 4-coordinate geometry to one Cr(2), one Tc(1), one Tc(11), and one Tc(4) atom. In the thirteenth Tc site, Tc(13) is bonded in a distorted T-shaped geometry to one Tc(10), one Tc(11), and one Tc(7) atom. In the fourteenth Tc site, Tc(14) is bonded in a 3-coordinate geometry to one Tc(10), one Tc(15), and one Tc(16) atom. The Tc(14)-Tc(15) bond length is 1.78 Å. The Tc(14)-Tc(16) bond length is 1.56 Å. In the fifteenth Tc site, Tc(15) is bonded in a 3-coordinate geometry to one Cr(1), one Tc(14), one Tc(2), and one Tc(3) atom. In the sixteenth Tc site, Tc(16) is bonded in a 2-coordinate geometry to one Cr(1), one Tc(14), and one Tc(8) atom.