data_GaTc2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   147.03
_cell_angle_beta   128.34
_cell_angle_gamma   62.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc2Ir
_chemical_formula_sum   'Ga1 Tc2 Ir1'
_cell_volume   57.78
_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  0.4  1.0
  Tc  Tc2  1  0.0  0.0  0.77  1.0
  Tc  Tc3  1  0.0  0.24  0.08  1.0
  Ir  Ir1  1  0.46  0.0  0.35  1.0

data_GaTc2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.49
_cell_length_c   5.15
_cell_angle_alpha   115.83
_cell_angle_beta   106.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc2Ir
_chemical_formula_sum   'Ga1 Tc2 Ir1'
_cell_volume   57.78
_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  0.6  0.6  0.6  1.0
  Tc  Tc1  1  0.23  0.23  0.23  1.0
  Tc  Tc2  1  0.92  0.16  0.16  1.0
  Ir  Ir3  1  0.11  0.65  0.11  1.0

Ga Tc Tc Ir
Tc2IrGa crystallizes in the triclinic P1 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to two equivalent Tc(2), two equivalent Ir(1), and one Ga(1) atom. There is one shorter (0.89 Å) and one longer (2.13 Å) Tc(1)-Tc(2) bond length. There is one shorter (2.21 Å) and one longer (2.43 Å) Tc(1)-Ir(1) bond length. The Tc(1)-Ga(1) bond length is 1.90 Å. In the second Tc site, Tc(2) is bonded in a distorted single-bond geometry to two equivalent Tc(1) and two equivalent Ir(1) atoms. There is one shorter (2.30 Å) and one longer (2.39 Å) Tc(2)-Ir(1) bond length. Ir(1) is bonded in a 6-coordinate geometry to two equivalent Tc(1), two equivalent Tc(2), and two equivalent Ga(1) atoms. There is one shorter (2.53 Å) and one longer (2.64 Å) Ir(1)-Ga(1) bond length. Ga(1) is bonded in a 2-coordinate geometry to one Tc(1) and two equivalent Ir(1) atoms.