data_YFe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Te
_chemical_formula_sum   'Y1 Fe2 Te1'
_cell_volume   76.96
_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  0.38  0.38  0.38  1.0
  Fe  Fe0  1  0.69  0.69  0.69  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.06  0.06  0.06  1.0

data_YFe2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   11.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YFe2Te
_chemical_formula_sum   'Y3 Fe6 Te3'
_cell_volume   230.87
_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  0.62  1.0
  Fe  Fe1  3  0.0  0.0  0.0  1.0
  Fe  Fe2  3  0.0  0.0  0.31  1.0
  Te  Te3  3  0.0  0.0  0.94  1.0

Y Fe Fe Te
YFe2Te crystallizes in the trigonal R3m space group. Y(1) is bonded in a 11-coordinate geometry to three equivalent Fe(2), four equivalent Fe(1), and four equivalent Te(1) atoms. All Y(1)-Fe(2) bond lengths are 2.80 Å. There are three shorter (2.77 Å) and one longer (3.65 Å) Y(1)-Fe(1) bond length. There are three shorter (2.77 Å) and one longer (3.65 Å) Y(1)-Te(1) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to four equivalent Y(1) atoms. In the second Fe site, Fe(2) is bonded in a single-bond geometry to three equivalent Y(1) and one Te(1) atom. The Fe(2)-Te(1) bond length is 0.75 Å. Te(1) is bonded in a single-bond geometry to four equivalent Y(1) and one Fe(2) atom.