data_TiGa4Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa4Tc
_chemical_formula_sum   'Ti1 Ga4 Tc1'
_cell_volume   91.71
_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
  Ti  Ti5  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.48  0.48  0.68  1.0
  Ga  Ga1  1  0.48  0.68  0.48  1.0
  Ga  Ga2  1  0.68  0.48  0.48  1.0
  Ga  Ga3  1  0.68  0.68  0.68  1.0
  Tc  Tc4  1  0.37  0.37  0.37  1.0

data_TiGa4Tc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TiGa4Tc
_chemical_formula_sum   'Ti3 Ga12 Tc3'
_cell_volume   275.14
_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
  Ti  Ti0  3  0.0  0.0  0.0  1.0
  Ga  Ga1  9  0.07  0.14  0.45  1.0
  Ga  Ga2  3  0.0  0.0  0.32  1.0
  Tc  Tc3  3  0.0  0.0  0.63  1.0

Ti Ga Ga Ga Ga Tc
Ti Ga Ga Ga Ga Tc 0 4 - - o 0 4 - o - 0 4 o - - 0 3 - - o 0 3 - o - 0 3 - o o 0 2 - - o 0 2 o - - 0 2 o - o 0 1 - o - 0 1 o - - 0 1 o o - 0 5 - o o 0 5 o - o 0 5 o o - 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
TiTcGa4 crystallizes in the trigonal R3m space group. Ti(1) is bonded in a 15-coordinate geometry to three equivalent Tc(1), three equivalent Ga(2), and nine equivalent Ga(1) atoms. All Ti(1)-Tc(1) bond lengths are 2.96 Å. All Ti(1)-Ga(2) bond lengths are 2.93 Å. There are six shorter (3.07 Å) and three longer (3.50 Å) Ti(1)-Ga(1) bond lengths. Tc(1) is bonded to three equivalent Ti(1), three equivalent Ga(2), and six equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing TcTi3Ga9 cuboctahedra. All Tc(1)-Ga(2) bond lengths are 2.93 Å. There are three shorter (2.26 Å) and three longer (3.03 Å) Tc(1)-Ga(1) bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to three equivalent Ti(1), two equivalent Tc(1), one Ga(2), and two equivalent Ga(1) atoms. The Ga(1)-Ga(2) bond length is 1.81 Å. Both Ga(1)-Ga(1) bond lengths are 1.04 Å. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Ti(1), three equivalent Tc(1), and three equivalent Ga(1) atoms.