data_ScTc2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   135.6
_cell_angle_beta   135.6
_cell_angle_gamma   64.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc2Ir
_chemical_formula_sum   'Sc1 Tc2 Ir1'
_cell_volume   62.96
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.92  0.0  0.14  1.0
  Tc  Tc3  1  0.0  0.92  0.14  1.0
  Ir  Ir0  1  0.0  0.0  0.29  1.0

data_ScTc2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   122.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTc2Ir
_chemical_formula_sum   'Sc2 Tc4 Ir2'
_cell_volume   125.92
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  4  0.04  0.96  0.23  1.0
  Ir  Ir2  2  0.0  0.0  0.29  1.0

Sc Tc Tc Ir
ScTc2Ir crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScTc2Ir clusters. Sc(1) is bonded in a 2-coordinate geometry to two equivalent Tc(1) atoms. Both Sc(1)-Tc(1) bond lengths are 1.07 Å. Tc(1) is bonded in a 3-coordinate geometry to one Sc(1), one Tc(1), and one Ir(1) atom. The Tc(1)-Tc(1) bond length is 0.45 Å. The Tc(1)-Ir(1) bond length is 0.52 Å. Ir(1) is bonded in a 2-coordinate geometry to two equivalent Tc(1) atoms.