data_NaTh2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTh2Tc
_chemical_formula_sum   'Na1 Th2 Tc1'
_cell_volume   99.69
_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
  Th  Th2  1  0.52  0.52  0.52  1.0
  Th  Th3  1  0.84  0.84  0.84  1.0
  Tc  Tc1  1  0.68  0.68  0.68  1.0

data_NaTh2Tc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaTh2Tc
_chemical_formula_sum   'Na3 Th6 Tc3'
_cell_volume   299.07
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Th  Th1  3  0.0  0.0  0.16  1.0
  Th  Th2  3  0.0  0.0  0.48  1.0
  Tc  Tc3  3  0.0  0.0  0.32  1.0

Na Th Th Tc
NaTh2Tc crystallizes in the trigonal R3m space group. Na(1) is bonded to one Th(2) and three equivalent Tc(1) atoms to form distorted NaThTc3 trigonal pyramids that share  a cornercorner with one Tc(1)Na3Th2 trigonal bipyramid and corners with six equivalent Na(1)ThTc3 trigonal pyramids. The Na(1)-Th(2) bond length is 2.04 Å. All Na(1)-Tc(1) bond lengths are 3.01 Å. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a single-bond geometry to one Tc(1) atom. The Th(1)-Tc(1) bond length is 2.04 Å. In the second Th site, Th(2) is bonded in a linear geometry to one Na(1) and one Tc(1) atom. The Th(2)-Tc(1) bond length is 2.04 Å. Tc(1) is bonded to three equivalent Na(1), one Th(1), and one Th(2) atom to form distorted TcNa3Th2 trigonal bipyramids that share corners with six equivalent Tc(1)Na3Th2 trigonal bipyramids and  a cornercorner with one Na(1)ThTc3 trigonal pyramid.