data_LiTeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.24
_cell_length_c   3.06
_cell_angle_alpha   78.05
_cell_angle_beta   77.56
_cell_angle_gamma   24.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeAu
_chemical_formula_sum   'Li1 Te1 Au1'
_cell_volume   64.78
_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
  Li  Li1  1  0.14  0.19  0.04  1.0
  Te  Te2  1  0.14  0.19  0.36  1.0
  Au  Au0  1  0.14  0.19  0.43  1.0

data_LiTeAu
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.06
_cell_length_b   13.83
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   LiTeAu
_chemical_formula_sum   'Li2 Te2 Au2'
_cell_volume   129.59
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Li  Li0  2  0.0  0.5  0.23  1.0
  Te  Te1  2  0.0  0.5  0.54  1.0
  Au  Au2  2  0.0  0.5  0.62  1.0

Li Te Au