data_Y3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   9.19
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Si
_chemical_formula_sum   'Y12 Si4'
_cell_volume   445.35
_cell_formula_units_Z   4
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  Y4  1  0.25  0.89  0.82  1.0
  Y  Y5  1  0.59  0.3  0.97  1.0
  Y  Y6  1  0.1  0.89  0.34  1.0
  Y  Y7  1  0.44  0.3  0.49  1.0
  Y  Y8  1  0.36  0.66  0.11  1.0
  Y  Y9  1  0.48  0.53  0.96  1.0
  Y  Y10  1  0.21  0.12  0.35  1.0
  Y  Y11  1  0.33  0.07  0.19  1.0
  Y  Y12  1  0.33  0.53  0.19  1.0
  Y  Y13  1  0.21  0.66  0.35  1.0
  Y  Y14  1  0.48  0.07  0.96  1.0
  Y  Y15  1  0.36  0.12  0.11  1.0
  Si  Si0  1  0.75  0.89  0.55  1.0
  Si  Si1  1  0.78  0.3  0.4  1.0
  Si  Si2  1  0.91  0.89  0.91  1.0
  Si  Si3  1  0.94  0.3  0.75  1.0

data_Y3Si
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.3
_cell_length_b   7.69
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y3Si
_chemical_formula_sum   'Y12 Si4'
_cell_volume   445.35
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Y0  2  0.04  0.98  0.43  1.0
  Y  Y1  2  0.04  0.98  0.97  1.0
  Y  Y2  2  0.18  0.75  0.8  1.0
  Y  Y3  2  0.19  0.86  0.57  1.0
  Y  Y4  2  0.19  0.86  0.03  1.0
  Y  Y5  2  0.34  0.09  0.2  1.0
  Si  Si6  2  0.25  0.44  0.2  1.0
  Si  Si7  2  0.4  0.41  0.8  1.0

Y Y Y Y Y Y Y Y Y Y Y Y Si Si Si Si
Y Y Y Y Y Y Y Y Y Y Y Y Si Si Si Si 0 2 o o o 0 14 - o o 0 4 o o + 0 11 o + + 0 7 o + + 0 10 o + o 1 10 o o o 1 11 o o + 1 5 o o o 1 3 o o o 1 13 o o + 1 15 o o o 2 9 o o o 2 7 o + o 2 6 o + o 2 12 - o o 2 14 - o - 3 11 o o o 3 7 o o o 3 6 o o o 3 8 o o o 3 13 o o o 4 8 o o o 4 5 o o - 4 9 o o o 5 8 o o + 6 7 o o o 7 11 o o o 8 9 o o o 10 11 o o + 12 14 o o o 13 15 o o o 
Y3Si crystallizes in the triclinic P-1 space group. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Y(3) and one Si(2) atom. The Y(1)-Y(3) bond length is 2.93 Å. The Y(1)-Si(2) bond length is 2.70 Å. In the second Y site, Y(2) is bonded in a 4-coordinate geometry to one Y(4), one Y(5), one Si(1), and one Si(2) atom. The Y(2)-Y(4) bond length is 2.27 Å. The Y(2)-Y(5) bond length is 2.27 Å. The Y(2)-Si(1) bond length is 2.96 Å. The Y(2)-Si(2) bond length is 3.07 Å. In the third Y site, Y(3) is bonded in a 4-coordinate geometry to one Y(1), one Y(3), and two equivalent Y(4) atoms. The Y(3)-Y(3) bond length is 1.41 Å. There is one shorter (1.83 Å) and one longer (1.91 Å) Y(3)-Y(4) bond length. In the fourth Y site, Y(4) is bonded in a 3-coordinate geometry to one Y(2) and two equivalent Y(3) atoms. In the fifth Y site, Y(5) is bonded in a distorted single-bond geometry to one Y(2), one Y(6), one Si(1), and one Si(2) atom. The Y(5)-Y(6) bond length is 1.40 Å. The Y(5)-Si(1) bond length is 3.69 Å. The Y(5)-Si(2) bond length is 3.67 Å. In the sixth Y site, Y(6) is bonded in a distorted bent 120 degrees geometry to one Y(5) and one Y(6) atom. The Y(6)-Y(6) bond length is 0.78 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one Y(2), one Y(5), and one Si(2) atom. The Si(1)-Si(2) bond length is 2.55 Å. In the second Si site, Si(2) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Y(5), and one Si(1) atom.