data_K4AlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4AlTc
_chemical_formula_sum   'K4 Al1 Tc1'
_cell_volume   204.71
_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
  K  K1  1  0.85  0.85  0.51  1.0
  K  K2  1  0.85  0.51  0.85  1.0
  K  K3  1  0.51  0.85  0.85  1.0
  K  K4  1  0.51  0.51  0.51  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tc  Tc5  1  0.02  0.02  0.02  1.0

data_K4AlTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   16.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K4AlTc
_chemical_formula_sum   'K12 Al3 Tc3'
_cell_volume   614.12
_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
  K  K0  9  0.22  0.44  0.93  1.0
  K  K1  3  0.0  0.0  0.49  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Tc  Tc3  3  0.0  0.0  0.98  1.0

K K K K Al Tc
K K K K Al Tc 0 1 o o o 0 2 o o o 0 5 + + o 0 3 + o o 0 3 o + o 0 3 o o o 1 2 o o o 1 5 + o + 1 3 + o o 1 3 o o + 1 3 o o o 2 5 o + + 2 3 o + o 2 3 o o + 2 3 o o o 3 5 o o + 3 5 o + o 3 5 + o o 3 4 o + + 3 4 + o + 3 4 + + o 4 5 o o o 
K4TcAl crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to three equivalent K(2) and one Tc(1) atom. There are two shorter (3.79 Å) and one longer (3.88 Å) K(1)-K(2) bond length. The K(1)-Tc(1) bond length is 2.66 Å. In the second K site, K(2) is bonded in a 9-coordinate geometry to nine equivalent K(1) atoms. Tc(1) is bonded in a single-bond geometry to three equivalent K(1) and one Al(1) atom. The Tc(1)-Al(1) bond length is 0.27 Å. Al(1) is bonded in a single-bond geometry to one Tc(1) atom.