data_Cr2TeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TeAu
_chemical_formula_sum   'Cr2 Te1 Au1'
_cell_volume   78.97
_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
  Cr  Cr1  1  0.11  0.11  0.11  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.41  0.41  0.41  1.0
  Au  Au0  1  0.7  0.7  0.7  1.0

data_Cr2TeAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   11.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr2TeAu
_chemical_formula_sum   'Cr6 Te3 Au3'
_cell_volume   236.9
_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
  Cr  Cr0  3  0.0  0.0  0.0  1.0
  Cr  Cr1  3  0.0  0.0  0.89  1.0
  Te  Te2  3  0.0  0.0  0.59  1.0
  Au  Au3  3  0.0  0.0  0.3  1.0

Cr Cr Te Au
Cr Cr Te Au 0 1 o o o 0 2 o o - 0 2 o - o 0 2 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 o o - 1 2 o - o 1 2 - o o 1 3 o - - 1 3 - o - 1 3 - - o 2 3 - o o 2 3 o - o 2 3 o o - 
Cr2AuTe crystallizes in the trigonal R3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Cr(2), three equivalent Au(1), and four equivalent Te(1) atoms. The Cr(1)-Cr(2) bond length is 1.27 Å. All Cr(1)-Au(1) bond lengths are 2.91 Å. There are three shorter (2.81 Å) and one longer (3.51 Å) Cr(1)-Te(1) bond length. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to one Cr(1), three equivalent Au(1), and three equivalent Te(1) atoms. All Cr(2)-Au(1) bond lengths are 2.81 Å. All Cr(2)-Te(1) bond lengths are 2.91 Å. Au(1) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Cr(2), and four equivalent Te(1) atoms. There are three shorter (2.81 Å) and one longer (3.51 Å) Au(1)-Te(1) bond length. Te(1) is bonded in a 11-coordinate geometry to three equivalent Cr(2), four equivalent Cr(1), and four equivalent Au(1) atoms.