data_CeTaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeTaTc2
_chemical_formula_sum   'Ce1 Ta1 Tc2'
_cell_volume   75.27
_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
  Ce  Ce0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.35  0.35  0.35  1.0
  Tc  Tc2  1  0.03  0.03  0.03  1.0
  Tc  Tc3  1  0.68  0.68  0.68  1.0

data_CeTaTc2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   11.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CeTaTc2
_chemical_formula_sum   'Ce3 Ta3 Tc6'
_cell_volume   225.81
_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
  Ce  Ce0  3  0.0  0.0  0.0  1.0
  Ta  Ta1  3  0.0  0.0  0.65  1.0
  Tc  Tc2  3  0.0  0.0  0.32  1.0
  Tc  Tc3  3  0.0  0.0  0.97  1.0

Ce Ta Tc Tc
CeTaTc2 crystallizes in the trigonal R3m space group. Ce(1) is bonded in a single-bond geometry to three equivalent Ta(1), one Tc(1), and four equivalent Tc(2) atoms. All Ce(1)-Ta(1) bond lengths are 2.74 Å. The Ce(1)-Tc(1) bond length is 0.31 Å. There are three shorter (2.74 Å) and one longer (3.77 Å) Ce(1)-Tc(2) bond length. Ta(1) is bonded in a 11-coordinate geometry to three equivalent Ce(1), four equivalent Tc(1), and four equivalent Tc(2) atoms. There are three shorter (2.74 Å) and one longer (3.77 Å) Ta(1)-Tc(1) bond length. There are three shorter (2.74 Å) and one longer (3.77 Å) Ta(1)-Tc(2) bond length. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Ce(1), four equivalent Ta(1), and three equivalent Tc(2) atoms. All Tc(1)-Tc(2) bond lengths are 2.74 Å. In the second Tc site, Tc(2) is bonded in a 11-coordinate geometry to four equivalent Ce(1), four equivalent Ta(1), and three equivalent Tc(1) atoms.