data_Zn3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Tc
_chemical_formula_sum   'Zn12 Tc4'
_cell_volume   227.1
_cell_formula_units_Z   4
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  Zn4  1  0.64  0.35  0.0  1.0
  Zn  Zn5  1  0.64  0.35  0.46  1.0
  Zn  Zn6  1  0.0  0.54  0.69  1.0
  Zn  Zn7  1  0.63  0.92  0.69  1.0
  Zn  Zn8  1  0.34  0.77  0.23  1.0
  Zn  Zn9  1  0.71  0.0  0.0  1.0
  Zn  Zn10  1  0.71  0.0  0.46  1.0
  Zn  Zn11  1  0.36  0.35  0.0  1.0
  Zn  Zn12  1  0.36  0.35  0.46  1.0
  Zn  Zn13  1  0.37  0.92  0.69  1.0
  Zn  Zn14  1  0.08  0.77  0.23  1.0
  Zn  Zn15  1  0.71  0.15  0.23  1.0
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.46  1.0
  Tc  Tc2  1  0.0  0.13  0.23  1.0
  Tc  Tc3  1  0.71  0.56  0.69  1.0

data_Zn3Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Tc
_chemical_formula_sum   'Zn12 Tc4'
_cell_volume   227.1
_cell_formula_units_Z   4
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  Zn0  1  0.0  0.54  0.69  1.0
  Zn  Zn1  1  0.08  0.77  0.23  1.0
  Zn  Zn2  1  0.34  0.77  0.23  1.0
  Zn  Zn3  1  0.36  0.35  0.0  1.0
  Zn  Zn4  1  0.36  0.35  0.46  1.0
  Zn  Zn5  1  0.37  0.92  0.69  1.0
  Zn  Zn6  1  0.63  0.92  0.69  1.0
  Zn  Zn7  1  0.64  0.35  0.0  1.0
  Zn  Zn8  1  0.64  0.35  0.46  1.0
  Zn  Zn9  1  0.71  0.0  0.0  1.0
  Zn  Zn10  1  0.71  0.0  0.46  1.0
  Zn  Zn11  1  0.71  0.15  0.23  1.0
  Tc  Tc12  1  0.0  0.0  0.0  1.0
  Tc  Tc13  1  0.0  0.0  0.46  1.0
  Tc  Tc14  1  0.0  0.13  0.23  1.0
  Tc  Tc15  1  0.71  0.56  0.69  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Tc Tc Tc Tc
TcZn3 crystallizes in the triclinic P1 space group. There are four inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one Zn(11), one Zn(6), and one Zn(8) atom. The Tc(1)-Zn(1) bond length is 3.07 Å. The Tc(1)-Zn(11) bond length is 2.56 Å. The Tc(1)-Zn(6) bond length is 1.57 Å. The Tc(1)-Zn(8) bond length is 1.90 Å. In the second Tc site, Tc(2) is bonded in a distorted bent 120 degrees geometry to one Zn(11), one Zn(7), and one Zn(9) atom. The Tc(2)-Zn(11) bond length is 2.56 Å. The Tc(2)-Zn(7) bond length is 1.57 Å. The Tc(2)-Zn(9) bond length is 1.90 Å. In the third Tc site, Tc(3) is bonded in a 1-coordinate geometry to one Zn(11) and one Zn(12) atom. The Tc(3)-Zn(11) bond length is 2.20 Å. The Tc(3)-Zn(12) bond length is 1.63 Å. In the fourth Tc site, Tc(4) is bonded in a 1-coordinate geometry to one Zn(1), one Zn(2), one Zn(3), and one Zn(4) atom. The Tc(4)-Zn(1) bond length is 2.93 Å. The Tc(4)-Zn(2) bond length is 2.31 Å. The Tc(4)-Zn(3) bond length is 1.63 Å. The Tc(4)-Zn(4) bond length is 2.20 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one Tc(1), one Tc(4), one Zn(12), one Zn(6), and one Zn(8) atom. The Zn(1)-Zn(12) bond length is 2.43 Å. The Zn(1)-Zn(6) bond length is 2.08 Å. The Zn(1)-Zn(8) bond length is 1.57 Å. In the second Zn site, Zn(2) is bonded in a 3-coordinate geometry to one Tc(4), one Zn(7), and one Zn(9) atom. The Zn(2)-Zn(7) bond length is 2.08 Å. The Zn(2)-Zn(9) bond length is 1.57 Å. In the third Zn site, Zn(3) is bonded in a distorted single-bond geometry to one Tc(4) atom. In the fourth Zn site, Zn(4) is bonded in a 2-coordinate geometry to one Tc(4) and one Zn(10) atom. The Zn(4)-Zn(10) bond length is 1.38 Å. In the fifth Zn site, Zn(5) is bonded in a 2-coordinate geometry to one Zn(11) and one Zn(12) atom. The Zn(5)-Zn(11) bond length is 1.38 Å. The Zn(5)-Zn(12) bond length is 2.03 Å. In the sixth Zn site, Zn(6) is bonded in a distorted single-bond geometry to one Tc(1) and one Zn(1) atom. In the seventh Zn site, Zn(7) is bonded in a distorted single-bond geometry to one Tc(2) and one Zn(2) atom. In the eighth Zn site, Zn(8) is bonded in a distorted bent 120 degrees geometry to one Tc(1) and one Zn(1) atom. In the ninth Zn site, Zn(9) is bonded in a distorted bent 120 degrees geometry to one Tc(2) and one Zn(2) atom. In the tenth Zn site, Zn(10) is bonded in a 1-coordinate geometry to one Zn(4) atom. In the eleventh Zn site, Zn(11) is bonded in a 4-coordinate geometry to one Tc(1), one Tc(2), one Tc(3), and one Zn(5) atom. In the twelfth Zn site, Zn(12) is bonded in a distorted single-bond geometry to one Tc(3), one Zn(1), and one Zn(5) atom.