data_Tc2NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2NiRu
_chemical_formula_sum   'Tc2 Ni1 Ru1'
_cell_volume   55.22
_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
  Tc  Tc2  1  0.53  0.53  0.64  1.0
  Tc  Tc3  1  0.53  0.53  0.24  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.94  1.0

data_Tc2NiRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2NiRu
_chemical_formula_sum   'Tc4 Ni2 Ru2'
_cell_volume   110.44
_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
  Tc  Tc0  2  0.03  0.5  0.24  1.0
  Tc  Tc1  2  0.03  0.5  0.64  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.94  1.0

Tc Tc Ni Ru
Tc Tc Ni Ru 0 2 o o + 0 2 o + + 0 2 + o + 0 2 + + + 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 0 + o o 0 0 o + o 0 1 o o o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 3 o o - 1 3 o + - 1 3 + o - 1 3 + + - 1 1 + o o 1 1 o + o 2 3 o o - 
Tc2RuNi crystallizes in the monoclinic Cm space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to one Tc(2) and four equivalent Ru(1) atoms. The Tc(1)-Tc(2) bond length is 2.36 Å. There are a spread of Tc(1)-Ru(1) bond distances ranging from 2.68-2.90 Å. In the second Tc site, Tc(2) is bonded in a 5-coordinate geometry to one Tc(1) and four equivalent Ni(1) atoms. There are a spread of Tc(2)-Ni(1) bond distances ranging from 2.47-2.70 Å. Ru(1) is bonded in a single-bond geometry to four equivalent Tc(1) and one Ni(1) atom. The Ru(1)-Ni(1) bond length is 0.36 Å. Ni(1) is bonded in a single-bond geometry to four equivalent Tc(2) and one Ru(1) atom.