data_Y2InTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2InTe
_chemical_formula_sum   'Y2 In1 Te1'
_cell_volume   112.44
_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  0.0  0.0  0.0  1.0
  Y  Y3  1  0.92  0.92  0.92  1.0
  In  In0  1  0.83  0.83  0.83  1.0
  Te  Te1  1  0.75  0.75  0.75  1.0

data_Y2InTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   13.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2InTe
_chemical_formula_sum   'Y6 In3 Te3'
_cell_volume   337.33
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Y  Y1  3  0.0  0.0  0.08  1.0
  In  In2  3  0.0  0.0  0.17  1.0
  Te  Te3  3  0.0  0.0  0.25  1.0

Y Y In Te
Y Y In Te 0 1 - - - 1 2 o o o 2 3 o o o 
Y2InTe crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Y(2) and three equivalent Te(1) atoms to form corner-sharing YYTe3 tetrahedra. The Y(1)-Y(2) bond length is 1.12 Å. All Y(1)-Te(1) bond lengths are 3.30 Å. In the second Y site, Y(2) is bonded in a distorted linear geometry to one Y(1) and one In(1) atom. The Y(2)-In(1) bond length is 1.12 Å. In(1) is bonded in a linear geometry to one Y(2) and one Te(1) atom. The In(1)-Te(1) bond length is 1.12 Å. Te(1) is bonded in a distorted single-bond geometry to three equivalent Y(1) and one In(1) atom.