data_Sc2GeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   6.3
_cell_angle_alpha   98.81
_cell_angle_beta   98.81
_cell_angle_gamma   42.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GeIr
_chemical_formula_sum   'Sc2 Ge1 Ir1'
_cell_volume   77.56
_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  0.72  0.0  0.65  1.0
  Sc  Sc3  1  0.23  0.0  0.56  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.47  0.0  0.11  1.0

data_Sc2GeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.29
_cell_length_c   6.3
_cell_angle_alpha   98.81
_cell_angle_beta   90.0
_cell_angle_gamma   111.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GeIr
_chemical_formula_sum   'Sc2 Ge1 Ir1'
_cell_volume   77.56
_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  Sc0  1  0.0  0.28  0.35  1.0
  Sc  Sc1  1  0.0  0.77  0.44  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.53  0.89  1.0

Sc Sc Ge Ir
Sc2IrGe crystallizes in the triclinic P1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 1-coordinate geometry to four equivalent Sc(2) and one Ge(1) atom. There are a spread of Sc(1)-Sc(2) bond distances ranging from 2.09-3.20 Å. The Sc(1)-Ge(1) bond length is 2.34 Å. In the second Sc site, Sc(2) is bonded in a 10-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), two equivalent Ir(1), and two equivalent Ge(1) atoms. Both Sc(2)-Sc(2) bond lengths are 3.13 Å. There is one shorter (3.21 Å) and one longer (3.43 Å) Sc(2)-Ir(1) bond length. There is one shorter (3.05 Å) and one longer (3.54 Å) Sc(2)-Ge(1) bond length. Ir(1) is bonded in a 2-coordinate geometry to two equivalent Sc(2) and two equivalent Ge(1) atoms. There is one shorter (2.04 Å) and one longer (2.46 Å) Ir(1)-Ge(1) bond length. Ge(1) is bonded in a 3-coordinate geometry to one Sc(1), two equivalent Sc(2), and two equivalent Ir(1) atoms.