data_ReTcNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcNi2
_chemical_formula_sum   'Re1 Tc1 Ni2'
_cell_volume   51.47
_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
  Re  Re2  1  0.54  0.54  0.65  1.0
  Tc  Tc3  1  0.0  0.0  0.09  1.0
  Ni  Ni0  1  0.54  0.54  0.13  1.0
  Ni  Ni1  1  0.0  0.0  0.24  1.0

data_ReTcNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReTcNi2
_chemical_formula_sum   'Re2 Tc2 Ni4'
_cell_volume   102.93
_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  0.0  0.0  0.09  1.0
  Re  Re1  2  0.04  0.5  0.65  1.0
  Ni  Ni2  2  0.0  0.0  0.24  1.0
  Ni  Ni3  2  0.04  0.5  0.13  1.0

Re Tc Ni Ni
Re Tc Ni Ni 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 1 o o + 0 1 o + + 0 1 + o + 0 1 + + + 0 0 + o o 0 0 o + o 0 2 o o o 0 2 o o + 1 3 o o o 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 
ReTcNi2 crystallizes in the monoclinic Cm space group. Re(1) is bonded in a 14-coordinate geometry to four equivalent Re(1), four equivalent Tc(1), two equivalent Ni(1), and four equivalent Ni(2) atoms. All Re(1)-Re(1) bond lengths are 3.09 Å. There are a spread of Re(1)-Tc(1) bond distances ranging from 3.13-3.38 Å. There is one shorter (2.63 Å) and one longer (2.78 Å) Re(1)-Ni(1) bond length. There are a spread of Re(1)-Ni(2) bond distances ranging from 2.97-3.23 Å. Tc(1) is bonded in a single-bond geometry to four equivalent Re(1), one Ni(2), and four equivalent Ni(1) atoms. The Tc(1)-Ni(2) bond length is 0.80 Å. There are a spread of Tc(1)-Ni(1) bond distances ranging from 2.01-2.38 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Re(1), four equivalent Tc(1), and four equivalent Ni(2) atoms. There are a spread of Ni(1)-Ni(2) bond distances ranging from 2.08-2.44 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to four equivalent Re(1), one Tc(1), and four equivalent Ni(1) atoms.