data_NaTcSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcSb2
_chemical_formula_sum   'Na1 Tc1 Sb2'
_cell_volume   88.47
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.14  1.0
  Sb  Sb1  1  0.63  0.63  0.49  1.0
  Sb  Sb2  1  0.63  0.63  0.78  1.0

data_NaTcSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTcSb2
_chemical_formula_sum   'Na2 Tc2 Sb4'
_cell_volume   176.94
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.14  1.0
  Sb  Sb2  2  0.13  0.5  0.49  1.0
  Sb  Sb3  2  0.13  0.5  0.78  1.0

Na Tc Sb Sb
Na Tc Sb Sb 0 1 o o o 0 3 - - - 2 3 o o o 
NaTcSb2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a distorted single-bond geometry to one Tc(1) and one Sb(2) atom. The Na(1)-Tc(1) bond length is 1.13 Å. The Na(1)-Sb(2) bond length is 2.48 Å. Tc(1) is bonded in a single-bond geometry to one Na(1) and one Sb(1) atom. The Tc(1)-Sb(1) bond length is 3.40 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Tc(1), one Sb(2), and four equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing SbTcSb5 octahedra. The corner-sharing octahedra are not tilted. The Sb(1)-Sb(2) bond length is 2.37 Å. All Sb(1)-Sb(1) bond lengths are 3.27 Å. In the second Sb site, Sb(2) is bonded in a 1-coordinate geometry to one Na(1) and one Sb(1) atom.