data_Sc2GeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   122.36
_cell_angle_beta   122.36
_cell_angle_gamma   85.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GeIr
_chemical_formula_sum   'Sc2 Ge1 Ir1'
_cell_volume   71.75
_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  Sc2  1  0.0  0.28  0.73  1.0
  Sc  Sc3  1  0.28  0.0  0.73  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.46  1.0

data_Sc2GeIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   132.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2GeIr
_chemical_formula_sum   'Sc4 Ge2 Ir2'
_cell_volume   143.51
_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  4  0.36  0.36  0.45  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.0  0.0  0.46  1.0

Sc Sc Ge Ir
Sc2IrGe crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a distorted single-bond geometry to one Ir(1) and two equivalent Ge(1) atoms. The Sc(1)-Ir(1) bond length is 1.25 Å. There is one shorter (2.27 Å) and one longer (2.93 Å) Sc(1)-Ge(1) bond length. Ir(1) is bonded in a distorted L-shaped geometry to two equivalent Sc(1) and one Ge(1) atom. The Ir(1)-Ge(1) bond length is 2.16 Å. Ge(1) is bonded in a 5-coordinate geometry to four equivalent Sc(1) and one Ir(1) atom.