data_Ta2TeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TeAu
_chemical_formula_sum   'Ta2 Te1 Au1'
_cell_volume   75.51
_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
  Ta  Ta1  1  0.7  0.27  0.6  1.0
  Ta  Ta2  1  0.7  0.73  0.6  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.4  0.0  0.0  1.0

data_Ta2TeAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.2
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2TeAu
_chemical_formula_sum   'Ta2 Te1 Au1'
_cell_volume   75.52
_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
  Ta  Ta0  2  0.6  0.27  0.7  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  -0.0  0.0  0.4  1.0

Ta Ta Te Au
Ta Ta Te Au 0 3 o o o 0 3 o o + 0 1 o o o 0 1 o - o 0 2 + o o 0 2 + o + 1 3 o + o 1 3 o + + 1 2 + + o 1 2 + + + 2 3 o o o 
Ta2AuTe crystallizes in the monoclinic Pm space group. Ta(1) is bonded in a 5-coordinate geometry to one Ta(1), two equivalent Au(1), and two equivalent Te(1) atoms. The Ta(1)-Ta(1) bond length is 2.24 Å. There is one shorter (2.33 Å) and one longer (2.74 Å) Ta(1)-Au(1) bond length. There is one shorter (2.33 Å) and one longer (2.74 Å) Ta(1)-Te(1) bond length. Au(1) is bonded in a 5-coordinate geometry to four equivalent Ta(1) and one Te(1) atom. The Au(1)-Te(1) bond length is 1.96 Å. Te(1) is bonded in a 5-coordinate geometry to four equivalent Ta(1) and one Au(1) atom.