data_Fe2TeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   3.08
_cell_angle_alpha   91.75
_cell_angle_beta   91.75
_cell_angle_gamma   94.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TeAu
_chemical_formula_sum   'Fe2 Te1 Au1'
_cell_volume   64.2
_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
  Fe  Fe1  1  0.48  0.68  0.54  1.0
  Fe  Fe2  1  0.48  0.32  0.54  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.1  0.0  0.0  1.0

data_Fe2TeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   94.55
_cell_angle_beta   91.75
_cell_angle_gamma   91.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TeAu
_chemical_formula_sum   'Fe2 Te1 Au1'
_cell_volume   64.2
_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
  Fe  Fe0  1  0.54  0.48  0.32  1.0
  Fe  Fe1  1  0.54  0.48  0.68  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.1  0.0  1.0

Fe Fe Te Au
Fe Fe Te Au 0 1 o o o 2 3 o o o 
Fe2AuTe crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Au(1), and two equivalent Te(1) atoms. Both Fe(1)-Fe(1) bond lengths are 3.08 Å. There is one shorter (1.65 Å) and one longer (2.92 Å) Fe(1)-Fe(2) bond length. There is one shorter (2.75 Å) and one longer (2.88 Å) Fe(1)-Au(1) bond length. There is one shorter (2.98 Å) and one longer (3.21 Å) Fe(1)-Te(1) bond length. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and two equivalent Au(1) atoms. There is one shorter (2.65 Å) and one longer (2.68 Å) Fe(2)-Au(1) bond length. Au(1) is bonded in a single-bond geometry to two equivalent Fe(1), two equivalent Fe(2), and one Te(1) atom. The Au(1)-Te(1) bond length is 0.48 Å. Te(1) is bonded in a single-bond geometry to two equivalent Fe(1) and one Au(1) atom.