data_Zr2TcRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcRu
_chemical_formula_sum   'Zr2 Tc1 Ru1'
_cell_volume   70.96
_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  Zr2  1  0.64  0.64  0.64  1.0
  Zr  Zr3  1  0.64  0.64  0.94  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.0  0.0  0.29  1.0

data_Zr2TcRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2TcRu
_chemical_formula_sum   'Zr4 Tc2 Ru2'
_cell_volume   141.91
_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  0.14  0.5  0.64  1.0
  Zr  Zr1  2  0.14  0.5  0.94  1.0
  Tc  Tc2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.29  1.0

Zr Zr Tc Ru
Zr2TcRu crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to one Zr(2) and one Ru(1) atom. The Zr(1)-Zr(2) bond length is 1.95 Å. The Zr(1)-Ru(1) bond length is 2.85 Å. In the second Zr site, Zr(2) is bonded in a 1-coordinate geometry to one Zr(1) and three equivalent Tc(1) atoms. There is one shorter (1.71 Å) and two longer (2.45 Å) Zr(2)-Tc(1) bond lengths. Tc(1) is bonded in a 4-coordinate geometry to three equivalent Zr(2) and one Ru(1) atom. The Tc(1)-Ru(1) bond length is 1.90 Å. Ru(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Tc(1) atom.