data_YFe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Te
_chemical_formula_sum   'Y1 Fe2 Te1'
_cell_volume   77.66
_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  0.25  1.0
  Fe  Fe0  1  0.7  0.7  0.39  1.0
  Fe  Fe1  1  0.0  0.0  0.42  1.0
  Te  Te2  1  0.7  0.7  0.05  1.0

data_YFe2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YFe2Te
_chemical_formula_sum   'Y2 Fe4 Te2'
_cell_volume   155.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.25  1.0
  Fe  Fe1  2  0.0  0.0  0.42  1.0
  Fe  Fe2  2  0.2  0.5  0.39  1.0
  Te  Te3  2  0.2  0.5  0.05  1.0

Y Fe Fe Te
Y Fe Fe Te 0 2 o o o 0 1 - - o 0 3 - - o 1 2 + + o 1 3 o o o 
YFe2Te crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YFe2Te clusters. Y(1) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), and one Te(1) atom. The Y(1)-Fe(1) bond length is 1.76 Å. The Y(1)-Fe(2) bond length is 1.18 Å. The Y(1)-Te(1) bond length is 1.96 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one Y(1), one Fe(2), and one Te(1) atom. The Fe(1)-Fe(2) bond length is 1.47 Å. The Fe(1)-Te(1) bond length is 2.30 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Y(1) and one Fe(1) atom. Te(1) is bonded in a distorted single-bond geometry to one Y(1) and one Fe(1) atom.