data_CuTc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   17.38
_cell_angle_beta   17.38
_cell_angle_gamma   17.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTc2Os
_chemical_formula_sum   'Cu1 Tc2 Os1'
_cell_volume   56.53
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.63  1.0
  Tc  Tc3  1  0.0  0.0  0.92  1.0
  Os  Os1  1  0.0  0.0  0.28  1.0

data_CuTc2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   2.72
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuTc2Os
_chemical_formula_sum   'Cu2 Tc4 Os2'
_cell_volume   113.06
_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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.08  1.0
  Tc  Tc2  2  0.0  0.0  0.37  1.0
  Os  Os3  2  0.0  0.0  0.72  1.0

Cu Tc Tc Os
Tc2OsCu crystallizes in the monoclinic Cm space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to one Tc(2), six equivalent Tc(1), and one Os(1) atom to form a mixture of distorted edge and corner-sharing TcTc7Os hexagonal bipyramids. The Tc(1)-Tc(2) bond length is 2.65 Å. All Tc(1)-Tc(1) bond lengths are 2.72 Å. The Tc(1)-Os(1) bond length is 3.17 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Tc(1) and one Cu(1) atom. The Tc(2)-Cu(1) bond length is 0.69 Å. Os(1) is bonded in a 1-coordinate geometry to one Tc(1) and one Cu(1) atom. The Os(1)-Cu(1) bond length is 2.48 Å. Cu(1) is bonded in a distorted single-bond geometry to one Tc(2) and one Os(1) atom.