data_AlCoTc4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoTc4
_chemical_formula_sum   'Al1 Co1 Tc4'
_cell_volume   91.24
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.36  0.36  0.36  1.0
  Tc  Tc2  1  0.46  0.68  0.46  1.0
  Tc  Tc3  1  0.68  0.46  0.46  1.0
  Tc  Tc4  1  0.68  0.68  0.68  1.0
  Tc  Tc5  1  0.46  0.46  0.68  1.0

data_AlCoTc4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlCoTc4
_chemical_formula_sum   'Al3 Co3 Tc12'
_cell_volume   273.71
_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
  Al  Al0  3  0.0  0.0  0.0  1.0
  Co  Co1  3  0.0  0.0  0.64  1.0
  Tc  Tc2  9  0.07  0.15  0.46  1.0
  Tc  Tc3  3  0.0  0.0  0.32  1.0

Al Co Tc Tc Tc Tc
Tc4CoAl crystallizes in the trigonal R3m space group. There are two inequivalent Tc sites. In the first Tc site, Tc(2) is bonded in a 9-coordinate geometry to three equivalent Tc(1), three equivalent Co(1), and three equivalent Al(1) atoms. All Tc(2)-Tc(1) bond lengths are 1.91 Å. All Tc(2)-Co(1) bond lengths are 2.92 Å. All Tc(2)-Al(1) bond lengths are 2.92 Å. In the second Tc site, Tc(1) is bonded in a 2-coordinate geometry to one Tc(2), two equivalent Tc(1), two equivalent Co(1), and three equivalent Al(1) atoms. Both Tc(1)-Tc(1) bond lengths are 1.10 Å. There is one shorter (2.28 Å) and one longer (2.99 Å) Tc(1)-Co(1) bond length. There are two shorter (3.11 Å) and one longer (3.40 Å) Tc(1)-Al(1) bond length. Co(1) is bonded to three equivalent Tc(2), six equivalent Tc(1), and three equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing CoAl3Tc9 cuboctahedra. All Co(1)-Al(1) bond lengths are 2.94 Å. Al(1) is bonded in a 15-coordinate geometry to three equivalent Tc(2), nine equivalent Tc(1), and three equivalent Co(1) atoms.