data_Ga4FeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga4FeTc
_chemical_formula_sum   'Ga4 Fe1 Tc1'
_cell_volume   86.55
_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
  Ga  Ga1  1  0.39  0.39  0.63  1.0
  Ga  Ga2  1  0.39  0.63  0.39  1.0
  Ga  Ga3  1  0.63  0.39  0.39  1.0
  Ga  Ga4  1  0.63  0.63  0.63  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc5  1  0.27  0.27  0.27  1.0

data_Ga4FeTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   12.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ga4FeTc
_chemical_formula_sum   'Ga12 Fe3 Tc3'
_cell_volume   259.64
_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
  Ga  Ga0  9  0.08  0.16  0.53  1.0
  Ga  Ga1  3  0.0  0.0  0.37  1.0
  Fe  Fe2  3  0.0  0.0  0.0  1.0
  Tc  Tc3  3  0.0  0.0  0.73  1.0

Ga Ga Ga Ga Fe Tc
Ga Ga Ga Ga Fe Tc 0 2 o o o 0 1 o o o 0 3 o o o 0 4 o o + 0 5 o o + 0 5 o o o 1 2 o o o 1 3 o o o 1 4 o + o 1 5 o + o 1 5 o o o 2 3 o o o 2 4 + o o 2 5 + o o 2 5 o o o 3 4 + + o 3 4 + o + 3 4 o + + 3 5 + o o 3 5 o + o 3 5 o o + 4 5 - o o 4 5 o - o 4 5 o o - 4 5 o o o 
TcFeGa4 crystallizes in the trigonal R3m space group. Tc(1) is bonded in a 12-coordinate geometry to three equivalent Fe(1), three equivalent Ga(2), and six equivalent Ga(1) atoms. All Tc(1)-Fe(1) bond lengths are 2.98 Å. All Tc(1)-Ga(2) bond lengths are 2.89 Å. There are three shorter (2.58 Å) and three longer (2.68 Å) Tc(1)-Ga(1) bond lengths. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Tc(1), three equivalent Ga(1), and three equivalent Ga(2) atoms. All Fe(1)-Ga(1) bond lengths are 2.74 Å. All Fe(1)-Ga(2) bond lengths are 2.90 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to two equivalent Tc(1), one Fe(1), one Ga(2), and two equivalent Ga(1) atoms. The Ga(1)-Ga(2) bond length is 2.09 Å. Both Ga(1)-Ga(1) bond lengths are 1.21 Å. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Tc(1), three equivalent Fe(1), and three equivalent Ga(1) atoms.