data_NaTiTcW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiTcW
_chemical_formula_sum   'Na1 Ti1 Tc1 W1'
_cell_volume   65.41
_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
  Ti  Ti2  1  0.6  0.6  0.6  1.0
  Tc  Tc1  1  0.8  0.8  0.8  1.0
  W  W3  1  0.2  0.2  0.2  1.0

data_NaTiTcW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaTiTcW
_chemical_formula_sum   'Na3 Ti3 Tc3 W3'
_cell_volume   196.22
_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
  Ti  Ti1  3  0.0  0.0  0.4  1.0
  Tc  Tc2  3  0.0  0.0  0.2  1.0
  W  W3  3  0.0  0.0  0.8  1.0

Na Ti Tc W
Na Ti Tc W 0 2 - - - 0 1 - - o 0 1 - o - 0 1 o - - 0 3 o o o 0 3 o o - 0 3 - o o 0 3 o - o 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 1 3 o o + 1 3 o + o 1 3 + o o 2 3 o + + 2 3 + o + 2 3 + + o 
NaTiWTc crystallizes in the trigonal R3m space group. Na(1) is bonded in a distorted linear geometry to three equivalent Ti(1), one W(1), and one Tc(1) atom. All Na(1)-Ti(1) bond lengths are 2.72 Å. The Na(1)-W(1) bond length is 2.19 Å. The Na(1)-Tc(1) bond length is 2.25 Å. Ti(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), three equivalent W(1), and one Tc(1) atom. All Ti(1)-W(1) bond lengths are 2.72 Å. The Ti(1)-Tc(1) bond length is 2.19 Å. W(1) is bonded in a distorted single-bond geometry to one Na(1) and three equivalent Ti(1) atoms. Tc(1) is bonded in a 2-coordinate geometry to one Na(1) and one Ti(1) atom.