data_Zn24Tc5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn24Tc5
_chemical_formula_sum   'Zn24 Tc5'
_cell_volume   413.29
_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
  Zn  Zn5  1  0.86  0.14  0.65  1.0
  Zn  Zn6  1  0.14  0.86  0.65  1.0
  Zn  Zn7  1  0.86  0.86  0.74  1.0
  Zn  Zn8  1  0.83  0.83  0.05  1.0
  Zn  Zn9  1  0.86  0.74  0.86  1.0
  Zn  Zn10  1  0.83  0.05  0.83  1.0
  Zn  Zn11  1  0.14  0.65  0.86  1.0
  Zn  Zn12  1  0.86  0.65  0.14  1.0
  Zn  Zn13  1  0.65  0.14  0.86  1.0
  Zn  Zn14  1  0.65  0.86  0.14  1.0
  Zn  Zn15  1  0.05  0.83  0.83  1.0
  Zn  Zn16  1  0.74  0.86  0.86  1.0
  Zn  Zn17  1  0.63  0.37  0.11  1.0
  Zn  Zn18  1  0.37  0.63  0.11  1.0
  Zn  Zn19  1  0.33  0.33  0.58  1.0
  Zn  Zn20  1  0.37  0.37  0.27  1.0
  Zn  Zn21  1  0.33  0.58  0.33  1.0
  Zn  Zn22  1  0.37  0.27  0.37  1.0
  Zn  Zn23  1  0.37  0.11  0.63  1.0
  Zn  Zn24  1  0.63  0.11  0.37  1.0
  Zn  Zn25  1  0.11  0.37  0.63  1.0
  Zn  Zn26  1  0.11  0.63  0.37  1.0
  Zn  Zn27  1  0.27  0.37  0.37  1.0
  Zn  Zn28  1  0.58  0.33  0.33  1.0
  Tc  Tc0  1  0.02  0.98  0.02  1.0
  Tc  Tc1  1  0.98  0.02  0.02  1.0
  Tc  Tc2  1  0.02  0.02  0.98  1.0
  Tc  Tc3  1  0.67  0.67  0.67  1.0
  Tc  Tc4  1  0.0  0.0  0.0  1.0

data_Zn24Tc5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.27
_cell_length_b   13.27
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn24Tc5
_chemical_formula_sum   'Zn72 Tc15'
_cell_volume   1239.87
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Zn  Zn0  18  0.08  0.4  0.04  1.0
  Zn  Zn1  18  0.1  0.41  0.55  1.0
  Zn  Zn2  9  0.03  0.06  0.33  1.0
  Zn  Zn3  9  0.04  0.08  0.82  1.0
  Zn  Zn4  9  0.14  0.07  0.91  1.0
  Zn  Zn5  9  0.17  0.08  0.41  1.0
  Tc  Tc6  9  0.02  0.03  0.01  1.0
  Tc  Tc7  3  0.0  0.0  0.0  1.0
  Tc  Tc8  3  0.0  0.0  0.67  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Tc Tc Tc Tc Tc
Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Tc Tc Tc Tc Tc 0 19 o o o 0 5 o o o 0 20 + o o 1 10 o o o 1 21 o o o 1 18 o + o 2 27 o o o 2 5 o + o 2 11 o o o 2 10 + o o 2 4 o o o 2 28 + + + 2 26 + + o 3 11 o o - 3 4 o o - 3 28 + + o 3 24 + o o 3 25 o + o 3 7 o o o 3 9 o o o 4 27 o o o 4 11 o o o 4 10 + o o 4 28 + + + 4 24 + o + 5 11 o - o 5 28 + o + 5 26 + o o 5 25 o o + 5 8 o o o 6 10 o o o 6 20 o o o 6 13 o o + 7 12 o o o 7 21 + o o 8 18 o o o 8 12 o o + 9 13 o o o 9 19 o + o 10 28 o + + 10 26 o + o 10 24 o o + 11 27 o o o 11 28 + + + 11 25 o + + 12 23 o o o 13 16 o o o 14 22 o o o 14 20 o o o 14 17 o o o 14 18 o o o 15 22 o o o 15 17 o o o 15 16 o o o 15 23 o o o 16 21 o o o 16 22 o o o 17 22 o o o 17 23 o o o 19 23 o o o 24 28 o + o 25 28 + o o 26 28 o o + 
Tc5Zn24 crystallizes in the trigonal R3m space group. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Tc(3), one Zn(2), and two equivalent Zn(3) atoms. The Tc(1)-Tc(3) bond length is 0.37 Å. The Tc(1)-Zn(2) bond length is 1.63 Å. Both Tc(1)-Zn(3) bond lengths are 1.69 Å. In the second Tc site, Tc(2) is bonded in a 3-coordinate geometry to three equivalent Zn(2) and three equivalent Zn(5) atoms. All Tc(2)-Zn(2) bond lengths are 1.52 Å. All Tc(2)-Zn(5) bond lengths are 2.85 Å. In the third Tc site, Tc(3) is bonded in a trigonal planar geometry to three equivalent Tc(1) atoms. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one Zn(3) and two equivalent Zn(4) atoms. The Zn(1)-Zn(3) bond length is 1.97 Å. There is one shorter (2.26 Å) and one longer (2.31 Å) Zn(1)-Zn(4) bond length. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to one Tc(1), one Tc(2), two equivalent Zn(2), and two equivalent Zn(3) atoms. Both Zn(2)-Zn(2) bond lengths are 1.57 Å. Both Zn(2)-Zn(3) bond lengths are 1.58 Å. In the third Zn site, Zn(3) is bonded in a 6-coordinate geometry to two equivalent Tc(1), two equivalent Zn(1), and two equivalent Zn(2) atoms. In the fourth Zn site, Zn(4) is bonded in a 3-coordinate geometry to one Zn(5) and two equivalent Zn(1) atoms. The Zn(4)-Zn(5) bond length is 2.03 Å. In the fifth Zn site, Zn(5) is bonded in a 5-coordinate geometry to one Tc(2), two equivalent Zn(4), and two equivalent Zn(6) atoms. Both Zn(5)-Zn(6) bond lengths are 1.81 Å. In the sixth Zn site, Zn(6) is bonded in a 2-coordinate geometry to two equivalent Zn(5) and two equivalent Zn(6) atoms. Both Zn(6)-Zn(6) bond lengths are 1.24 Å.