data_Sc2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   120.92
_cell_angle_beta   120.92
_cell_angle_gamma   88.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2IrPb
_chemical_formula_sum   'Sc2 Ir1 Pb1'
_cell_volume   80.74
_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  0.4  0.75  1.0
  Sc  Sc3  1  0.4  0.0  0.75  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.49  1.0

data_Sc2IrPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   134.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2IrPb
_chemical_formula_sum   'Sc4 Ir2 Pb2'
_cell_volume   161.47
_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  0.3  0.3  0.34  1.0
  Ir  Ir1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.0  0.0  0.49  1.0

Sc Sc Ir Pb
Sc Sc Ir Pb 0 3 o o o 0 2 o o + 0 2 o + + 1 3 o o o 1 2 + o + 1 2 o o + 2 3 o o - 2 3 o o o 
Sc2IrPb crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a distorted single-bond geometry to two equivalent Ir(1) and one Pb(1) atom. There is one shorter (2.51 Å) and one longer (2.81 Å) Sc(1)-Ir(1) bond length. The Sc(1)-Pb(1) bond length is 1.70 Å. Ir(1) is bonded in a 6-coordinate geometry to four equivalent Sc(1) and two equivalent Pb(1) atoms. There is one shorter (2.41 Å) and one longer (2.46 Å) Ir(1)-Pb(1) bond length. Pb(1) is bonded in a distorted water-like geometry to two equivalent Sc(1) and two equivalent Ir(1) atoms.