data_ZnIn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2Si
_chemical_formula_sum   'Zn1 In2 Si1'
_cell_volume   86.14
_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
  Zn  Zn3  1  0.65  0.65  0.61  1.0
  In  In0  1  0.0  0.0  0.65  1.0
  In  In1  1  0.65  0.65  0.28  1.0
  Si  Si2  1  0.0  0.0  0.31  1.0

data_ZnIn2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnIn2Si
_chemical_formula_sum   'Zn2 In4 Si2'
_cell_volume   172.28
_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
  Zn  Zn0  2  0.15  0.5  0.61  1.0
  In  In1  2  0.0  0.0  0.65  1.0
  In  In2  2  0.15  0.5  0.28  1.0
  Si  Si3  2  0.0  0.0  0.31  1.0

Zn In In Si
InZnInSi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two InSi clusters and two InZn clusters. In each InSi cluster, In(2) is bonded in a 1-coordinate geometry to one Si(1) atom. The In(2)-Si(1) bond length is 1.67 Å. Si(1) is bonded in a 1-coordinate geometry to one In(2) atom. In each InZn cluster, Zn(1) is bonded in a 1-coordinate geometry to one In(1) atom. The Zn(1)-In(1) bond length is 1.69 Å. In(1) is bonded in a 1-coordinate geometry to one Zn(1) atom.