data_GaTc2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72
_cell_length_b   8.72
_cell_length_c   8.72
_cell_angle_alpha   18.03
_cell_angle_beta   18.03
_cell_angle_gamma   18.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc2Ni
_chemical_formula_sum   'Ga1 Tc2 Ni1'
_cell_volume   55.53
_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  Ga0  1  0.0  0.0  0.87  1.0
  Tc  Tc2  1  0.0  0.0  0.23  1.0
  Tc  Tc3  1  0.0  0.0  0.51  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_GaTc2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   2.73
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   100.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaTc2Ni
_chemical_formula_sum   'Ga2 Tc4 Ni2'
_cell_volume   111.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Ga0  2  0.0  0.0  0.13  1.0
  Tc  Tc1  2  0.0  0.0  0.49  1.0
  Tc  Tc2  2  0.0  0.0  0.77  1.0
  Ni  Ni3  2  0.0  0.0  0.0  1.0

Ga Tc Tc Ni
Ga Tc Tc Ni 0 3 o o + 0 2 o o o 1 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
Tc2NiGa crystallizes in the monoclinic Cm space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 1-coordinate geometry to one Tc(2) and one Ni(1) atom. The Tc(1)-Tc(2) bond length is 2.43 Å. The Tc(1)-Ni(1) bond length is 2.01 Å. In the second Tc site, Tc(2) is bonded to one Tc(1), six equivalent Tc(2), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing TcGaTc7 hexagonal bipyramids. All Tc(2)-Tc(2) bond lengths are 2.73 Å. The Tc(2)-Ga(1) bond length is 3.15 Å. Ni(1) is bonded in a distorted single-bond geometry to one Tc(1) and one Ga(1) atom. The Ni(1)-Ga(1) bond length is 1.14 Å. Ga(1) is bonded in a single-bond geometry to one Tc(2) and one Ni(1) atom.