data_Y4In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29
_cell_length_b   9.29
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4In5
_chemical_formula_sum   'Y8 In10'
_cell_volume   485.18
_cell_formula_units_Z   2
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  Y10  1  0.0  0.0  0.24  1.0
  Y  Y11  1  0.0  0.0  0.0  1.0
  Y  Y12  1  0.71  0.97  0.87  1.0
  Y  Y13  1  0.87  0.0  0.87  1.0
  Y  Y14  1  0.07  0.08  0.87  1.0
  Y  Y15  1  0.93  0.08  0.62  1.0
  Y  Y16  1  0.42  0.0  0.62  1.0
  Y  Y17  1  0.29  0.97  0.62  1.0
  In  In0  1  0.25  0.64  0.87  1.0
  In  In1  1  0.79  0.0  0.87  1.0
  In  In2  1  0.61  0.41  0.87  1.0
  In  In3  1  0.39  0.41  0.62  1.0
  In  In4  1  0.51  0.0  0.62  1.0
  In  In5  1  0.75  0.64  0.62  1.0
  In  In6  1  0.0  0.37  0.24  1.0
  In  In7  1  0.65  0.68  0.0  1.0
  In  In8  1  0.65  0.68  0.24  1.0
  In  In9  1  0.0  0.37  0.0  1.0

data_Y4In5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.49
_cell_length_b   9.29
_cell_length_c   9.29
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4In5
_chemical_formula_sum   'Y8 In10'
_cell_volume   485.18
_cell_formula_units_Z   2
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  Y0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.24  0.0  0.0  1.0
  Y  Y2  1  0.62  0.29  0.97  1.0
  Y  Y3  1  0.62  0.42  0.0  1.0
  Y  Y4  1  0.62  0.93  0.08  1.0
  Y  Y5  1  0.87  0.07  0.08  1.0
  Y  Y6  1  0.87  0.71  0.97  1.0
  Y  Y7  1  0.87  0.87  0.0  1.0
  In  In8  1  -0.0  0.0  0.37  1.0
  In  In9  1  -0.0  0.65  0.68  1.0
  In  In10  1  0.24  0.0  0.37  1.0
  In  In11  1  0.24  0.65  0.68  1.0
  In  In12  1  0.62  0.39  0.41  1.0
  In  In13  1  0.62  0.51  0.0  1.0
  In  In14  1  0.62  0.75  0.64  1.0
  In  In15  1  0.87  0.25  0.64  1.0
  In  In16  1  0.87  0.61  0.41  1.0
  In  In17  1  0.87  0.79  0.0  1.0

Y Y Y Y Y Y Y Y In In In In In In In In In In
Y4In5 crystallizes in the triclinic P1 space group. There are eight inequivalent Y sites. In the first Y site, Y(1) is bonded in a 4-coordinate geometry to one Y(2), one Y(6), one In(6), one In(7), and one In(9) atom. The Y(1)-Y(2) bond length is 1.58 Å. The Y(1)-Y(6) bond length is 2.73 Å. The Y(1)-In(6) bond length is 3.88 Å. The Y(1)-In(7) bond length is 3.39 Å. The Y(1)-In(9) bond length is 3.13 Å. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to one Y(1), one Y(4), one Y(5), and one In(6) atom. The Y(2)-Y(4) bond length is 1.50 Å. The Y(2)-Y(5) bond length is 1.12 Å. The Y(2)-In(6) bond length is 3.88 Å. In the third Y site, Y(3) is bonded in a single-bond geometry to one In(2), one In(6), and one In(8) atom. The Y(3)-In(2) bond length is 0.60 Å. The Y(3)-In(6) bond length is 3.61 Å. The Y(3)-In(8) bond length is 2.54 Å. In the fourth Y site, Y(4) is bonded in a single-bond geometry to one Y(2), one Y(5), one Y(6), one In(2), and one In(6) atom. The Y(4)-Y(5) bond length is 1.59 Å. The Y(4)-Y(6) bond length is 1.73 Å. The Y(4)-In(2) bond length is 0.77 Å. The Y(4)-In(6) bond length is 3.38 Å. In the fifth Y site, Y(5) is bonded in a 6-coordinate geometry to one Y(2), one Y(4), one Y(6), one Y(8), one In(10), and one In(4) atom. The Y(5)-Y(6) bond length is 2.00 Å. The Y(5)-Y(8) bond length is 3.20 Å. The Y(5)-In(10) bond length is 3.10 Å. The Y(5)-In(4) bond length is 3.44 Å. In the sixth Y site, Y(6) is bonded in a 9-coordinate geometry to one Y(1), one Y(4), one Y(5), one In(10), one In(2), one In(4), one In(5), one In(6), and one In(7) atom. The Y(6)-In(10) bond length is 3.42 Å. The Y(6)-In(2) bond length is 1.98 Å. The Y(6)-In(4) bond length is 3.81 Å. The Y(6)-In(5) bond length is 3.65 Å. The Y(6)-In(6) bond length is 3.62 Å. The Y(6)-In(7) bond length is 3.42 Å. In the seventh Y site, Y(7) is bonded in a distorted single-bond geometry to one Y(8), one In(3), and one In(5) atom. The Y(7)-Y(8) bond length is 1.14 Å. The Y(7)-In(3) bond length is 3.69 Å. The Y(7)-In(5) bond length is 0.77 Å. In the eighth Y site, Y(8) is bonded in a distorted single-bond geometry to one Y(5), one Y(7), and one In(1) atom. The Y(8)-In(1) bond length is 3.32 Å. There are ten inequivalent In sites. In the first In site, In(1) is bonded in a 2-coordinate geometry to one Y(8) and one In(10) atom. The In(1)-In(10) bond length is 2.59 Å. In the second In site, In(2) is bonded in a bent 150 degrees geometry to one Y(3), one Y(4), and one Y(6) atom. In the third In site, In(3) is bonded in a 4-coordinate geometry to one Y(7), one In(4), one In(6), and one In(8) atom. The In(3)-In(4) bond length is 2.54 Å. The In(3)-In(6) bond length is 2.40 Å. The In(3)-In(8) bond length is 2.50 Å. In the fourth In site, In(4) is bonded in a 2-coordinate geometry to one Y(5), one Y(6), one In(3), and one In(6) atom. The In(4)-In(6) bond length is 2.88 Å. In the fifth In site, In(5) is bonded in a distorted single-bond geometry to one Y(6) and one Y(7) atom. In the sixth In site, In(6) is bonded in a 9-coordinate geometry to one Y(1), one Y(2), one Y(3), one Y(4), one Y(6), one In(3), one In(4), one In(8), and one In(9) atom. The In(6)-In(8) bond length is 2.74 Å. The In(6)-In(9) bond length is 2.74 Å. In the seventh In site, In(7) is bonded in a 3-coordinate geometry to one Y(1), one Y(6), and one In(10) atom. The In(7)-In(10) bond length is 1.58 Å. In the eighth In site, In(8) is bonded in a 2-coordinate geometry to one Y(3), one In(3), one In(6), and one In(9) atom. The In(8)-In(9) bond length is 1.58 Å. In the ninth In site, In(9) is bonded in a 3-coordinate geometry to one Y(1), one In(6), and one In(8) atom. In the tenth In site, In(10) is bonded in a 1-coordinate geometry to one Y(5), one Y(6), one In(1), and one In(7) atom.