data_In2SiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiPb
_chemical_formula_sum   'In2 Si1 Pb1'
_cell_volume   99.3
_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
  In  In0  1  0.11  0.0  0.92  1.0
  In  In1  1  0.11  0.0  0.13  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.53  1.0

data_In2SiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SiPb
_chemical_formula_sum   'In2 Si1 Pb1'
_cell_volume   99.3
_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
  In  In0  1  0.11  0.0  0.13  1.0
  In  In1  1  0.11  0.0  0.92  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.53  1.0

In In Si Pb
In2PbSi crystallizes in the triclinic P1 space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to one Pb(1) and one Si(1) atom. The In(1)-Pb(1) bond length is 3.58 Å. The In(1)-Si(1) bond length is 0.80 Å. In the second In site, In(2) is bonded in a single-bond geometry to one Pb(1) and one Si(1) atom. The In(2)-Pb(1) bond length is 3.58 Å. The In(2)-Si(1) bond length is 1.28 Å. Pb(1) is bonded to one In(1), one In(2), and four equivalent Pb(1) atoms to form a mixture of distorted corner and edge-sharing PbIn2Pb4 octahedra. The corner-sharing octahedra are not tilted. All Pb(1)-Pb(1) bond lengths are 3.35 Å. Si(1) is bonded in a distorted bent 150 degrees geometry to one In(1) and one In(2) atom.