data_ZrCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuTc2
_chemical_formula_sum   'Zr1 Cu1 Tc2'
_cell_volume   64.06
_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  0.92  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.65  0.65  0.22  1.0
  Tc  Tc2  1  0.65  0.65  0.63  1.0

data_ZrCuTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCuTc2
_chemical_formula_sum   'Zr2 Cu2 Tc4'
_cell_volume   128.13
_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  0.92  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.15  0.5  0.22  1.0
  Tc  Tc3  2  0.15  0.5  0.63  1.0

Zr Cu Tc Tc
Zr Cu Tc Tc 0 1 o o + 0 2 - - + 0 3 - - o 1 2 - - o 1 3 - - - 2 3 o o o 
ZrTc2Cu crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a single-bond geometry to one Tc(2) and one Cu(1) atom. The Zr(1)-Tc(2) bond length is 2.35 Å. The Zr(1)-Cu(1) bond length is 0.45 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 4-coordinate geometry to one Tc(2) and three equivalent Cu(1) atoms. The Tc(1)-Tc(2) bond length is 2.42 Å. There is one shorter (2.05 Å) and two longer (2.76 Å) Tc(1)-Cu(1) bond lengths. In the second Tc site, Tc(2) is bonded in a distorted single-bond geometry to one Zr(1) and one Tc(1) atom. Cu(1) is bonded in a single-bond geometry to one Zr(1) and three equivalent Tc(1) atoms.