data_TeRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRh2Au
_chemical_formula_sum   'Te1 Rh2 Au1'
_cell_volume   68.79
_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
  Te  Te3  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.66  0.66  0.77  1.0
  Rh  Rh2  1  0.66  0.66  0.49  1.0
  Au  Au0  1  0.0  0.0  0.13  1.0

data_TeRh2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TeRh2Au
_chemical_formula_sum   'Te2 Rh4 Au2'
_cell_volume   137.59
_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
  Te  Te0  2  0.0  0.0  0.0  1.0
  Rh  Rh1  2  0.16  0.5  0.49  1.0
  Rh  Rh2  2  0.16  0.5  0.77  1.0
  Au  Au3  2  0.0  0.0  0.13  1.0

Te Rh Rh Au
Te Rh Rh Au 0 3 o o o 1 2 o o o 
Rh2AuTe crystallizes in the monoclinic Cm space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 4-coordinate geometry to one Rh(2) and three equivalent Te(1) atoms. The Rh(1)-Rh(2) bond length is 1.73 Å. There is one shorter (2.17 Å) and two longer (2.86 Å) Rh(1)-Te(1) bond lengths. In the second Rh site, Rh(2) is bonded in a distorted bent 150 degrees geometry to one Rh(1) and one Au(1) atom. The Rh(2)-Au(1) bond length is 2.77 Å. Au(1) is bonded in a single-bond geometry to one Rh(2) and one Te(1) atom. The Au(1)-Te(1) bond length is 0.80 Å. Te(1) is bonded in a distorted single-bond geometry to three equivalent Rh(1) and one Au(1) atom.