data_ZrInTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   8.74
_cell_angle_alpha   20.74
_cell_angle_beta   20.74
_cell_angle_gamma   20.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInTc2
_chemical_formula_sum   'Zr1 In1 Tc2'
_cell_volume   73.35
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.83  1.0
  Tc  Tc1  1  0.0  0.0  0.48  1.0
  Tc  Tc2  1  0.0  0.0  0.17  1.0

data_ZrInTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   3.15
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   102.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrInTc2
_chemical_formula_sum   'Zr2 In2 Tc4'
_cell_volume   146.69
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.17  1.0
  Tc  Tc2  2  0.0  0.0  0.52  1.0
  Tc  Tc3  2  0.0  0.0  0.83  1.0

Zr In Tc Tc
Zr In Tc Tc 0 1 o o - 0 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 
ZrTc2In crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a linear geometry to one Tc(2) and one In(1) atom. The Zr(1)-Tc(2) bond length is 1.51 Å. The Zr(1)-In(1) bond length is 1.52 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to one Tc(2), six equivalent Tc(1), and one In(1) atom to form a mixture of distorted corner and edge-sharing TcInTc7 hexagonal bipyramids. The Tc(1)-Tc(2) bond length is 2.68 Å. All Tc(1)-Tc(1) bond lengths are 3.15 Å. The Tc(1)-In(1) bond length is 3.03 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Zr(1) and one Tc(1) atom. In(1) is bonded in a single-bond geometry to one Zr(1) and one Tc(1) atom.