data_Y4In3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4In3
_chemical_formula_sum   'Y4 In3'
_cell_volume   193.03
_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  Y3  1  0.0  0.0  0.45  1.0
  Y  Y4  1  0.0  0.0  0.55  1.0
  Y  Y5  1  0.0  0.52  0.0  1.0
  Y  Y6  1  0.05  0.76  0.0  1.0
  In  In0  1  0.52  0.64  0.0  1.0
  In  In1  1  0.05  0.0  0.0  1.0
  In  In2  1  0.48  0.64  0.0  1.0

data_Y4In3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.09
_cell_length_b   6.0
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y4In3
_chemical_formula_sum   'Y4 In3'
_cell_volume   193.03
_cell_formula_units_Z   1
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  0.0  0.05  0.0  1.0
  Y  Y1  1  -0.0  0.5  0.52  1.0
  Y  Y2  1  0.05  0.5  0.76  1.0
  In  In3  1  0.05  0.5  0.0  1.0
  In  In4  1  0.48  0.5  0.64  1.0
  In  In5  1  0.52  0.5  0.64  1.0

Y Y Y Y In In In
Y4In3 crystallizes in the monoclinic Pm space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a linear geometry to one Y(1) and one In(2) atom. The Y(1)-Y(1) bond length is 0.58 Å. The Y(1)-In(2) bond length is 2.72 Å. In the second Y site, Y(2) is bonded in a 4-coordinate geometry to one Y(3), one In(1), one In(2), and one In(3) atom. The Y(2)-Y(3) bond length is 1.50 Å. The Y(2)-In(1) bond length is 2.99 Å. The Y(2)-In(2) bond length is 3.17 Å. The Y(2)-In(3) bond length is 2.99 Å. In the third Y site, Y(3) is bonded in a distorted single-bond geometry to one Y(2), one In(1), one In(2), and one In(3) atom. The Y(3)-In(1) bond length is 3.27 Å. The Y(3)-In(2) bond length is 1.47 Å. The Y(3)-In(3) bond length is 2.72 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to one Y(2), one Y(3), and one In(3) atom. The In(1)-In(3) bond length is 0.29 Å. In the second In site, In(2) is bonded in a single-bond geometry to one Y(2), one Y(3), and two equivalent Y(1) atoms. In the third In site, In(3) is bonded in a 3-coordinate geometry to one Y(2), one Y(3), and one In(1) atom.