data_LaTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTeAu2
_chemical_formula_sum   'La1 Te1 Au2'
_cell_volume   101.17
_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
  La  La2  1  0.55  0.55  0.55  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.85  0.85  0.85  1.0
  Au  Au1  1  0.7  0.7  0.7  1.0

data_LaTeAu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   12.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaTeAu2
_chemical_formula_sum   'La3 Te3 Au6'
_cell_volume   303.51
_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
  La  La0  3  0.0  0.0  0.45  1.0
  Te  Te1  3  0.0  0.0  1.0  1.0
  Au  Au2  3  0.0  0.0  0.15  1.0
  Au  Au3  3  0.0  0.0  0.3  1.0

La Te Au Au
La Te Au Au 0 3 o o o 1 2 - - - 2 3 o o o 
LaAu2Te crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted single-bond geometry to one Au(2) and three equivalent Au(1) atoms. The La(1)-Au(2) bond length is 1.93 Å. All La(1)-Au(1) bond lengths are 3.05 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to three equivalent La(1), one Au(2), and one Te(1) atom to form distorted corner-sharing AuLa3TeAu trigonal bipyramids. The Au(1)-Au(2) bond length is 1.93 Å. The Au(1)-Te(1) bond length is 1.93 Å. In the second Au site, Au(2) is bonded in a distorted single-bond geometry to one La(1) and one Au(1) atom. Te(1) is bonded in a distorted single-bond geometry to one Au(1) atom.