data_FeTc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   146.72
_cell_angle_beta   129.81
_cell_angle_gamma   61.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTc2Os
_chemical_formula_sum   'Fe1 Tc2 Os1'
_cell_volume   56.05
_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
  Fe  Fe0  1  0.0  0.0  0.39  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.47  0.0  0.37  1.0
  Os  Os1  1  0.0  0.17  0.03  1.0

data_FeTc2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.34
_cell_length_c   5.12
_cell_angle_alpha   115.09
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTc2Os
_chemical_formula_sum   'Fe1 Tc2 Os1'
_cell_volume   56.05
_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
  Fe  Fe0  1  0.61  0.61  0.61  1.0
  Tc  Tc1  1  0.09  0.63  0.09  1.0
  Tc  Tc2  1  1.0  1.0  1.0  1.0
  Os  Os3  1  0.97  0.14  0.14  1.0

Fe Tc Tc Os
Fe Tc Tc Os 0 3 o o o 0 3 o o + 0 2 - o o 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 2 3 + o + 
Tc2OsFe crystallizes in the triclinic P1 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Tc(2), one Os(1), and one Fe(1) atom. The Tc(1)-Tc(2) bond length is 1.87 Å. The Tc(1)-Os(1) bond length is 0.74 Å. The Tc(1)-Fe(1) bond length is 2.01 Å. In the second Tc site, Tc(2) is bonded in a 2-coordinate geometry to one Tc(1), one Os(1), and two equivalent Fe(1) atoms. The Tc(2)-Os(1) bond length is 2.27 Å. There is one shorter (2.46 Å) and one longer (2.67 Å) Tc(2)-Fe(1) bond length. Os(1) is bonded in a single-bond geometry to one Tc(1), one Tc(2), and two equivalent Fe(1) atoms. There is one shorter (2.59 Å) and one longer (2.88 Å) Os(1)-Fe(1) bond length. Fe(1) is bonded in a 5-coordinate geometry to one Tc(1), two equivalent Tc(2), and two equivalent Os(1) atoms.