data_ZrCrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrTc2
_chemical_formula_sum   'Zr1 Cr1 Tc2'
_cell_volume   62.14
_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  0.28  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.58  0.0  0.92  1.0
  Tc  Tc2  1  0.58  0.0  0.64  1.0

data_ZrCrTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrTc2
_chemical_formula_sum   'Zr1 Cr1 Tc2'
_cell_volume   62.14
_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  Zr0  1  0.0  0.0  0.28  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.58  0.0  0.64  1.0
  Tc  Tc3  1  0.58  0.0  0.92  1.0

Zr Cr Tc Tc
ZrCrTc2 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a distorted single-bond geometry to one Cr(1) and two equivalent Tc(2) atoms. The Zr(1)-Cr(1) bond length is 2.43 Å. There is one shorter (3.30 Å) and one longer (3.48 Å) Zr(1)-Tc(2) bond length. Cr(1) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Tc(1) atoms. There is one shorter (1.35 Å) and one longer (1.74 Å) Cr(1)-Tc(1) bond length. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cr(1) and one Tc(2) atom. The Tc(1)-Tc(2) bond length is 2.39 Å. In the second Tc site, Tc(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), one Tc(1), and six equivalent Tc(2) atoms. There are four shorter (2.79 Å) and two longer (3.16 Å) Tc(2)-Tc(2) bond lengths.