data_Y2InSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2InSi
_chemical_formula_sum   'Y2 In1 Si1'
_cell_volume   96.34
_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
  Y  Y2  1  0.67  0.67  0.9  1.0
  Y  Y3  1  0.67  0.67  0.72  1.0
  In  In0  1  0.0  0.0  0.31  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Y2InSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2InSi
_chemical_formula_sum   'Y4 In2 Si2'
_cell_volume   192.67
_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
  Y  Y0  2  0.17  0.5  0.72  1.0
  Y  Y1  2  0.17  0.5  0.9  1.0
  In  In2  2  0.0  0.0  0.31  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

Y Y In Si
Y2InSi crystallizes in the monoclinic Cm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 1-coordinate geometry to one Y(2) and one Si(1) atom. The Y(1)-Y(2) bond length is 1.54 Å. The Y(1)-Si(1) bond length is 1.78 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Y(1) and one In(1) atom. The Y(2)-In(1) bond length is 3.87 Å. In(1) is bonded in a distorted single-bond geometry to one Y(2), four equivalent In(1), and one Si(1) atom. All In(1)-In(1) bond lengths are 3.34 Å. The In(1)-Si(1) bond length is 2.67 Å. Si(1) is bonded in a distorted single-bond geometry to one Y(1) and one In(1) atom.