data_Tl2TeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.93
_cell_angle_alpha   117.07
_cell_angle_beta   117.07
_cell_angle_gamma   42.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TeAu
_chemical_formula_sum   'Tl2 Te1 Au1'
_cell_volume   120.43
_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
  Tl  Tl2  1  0.17  0.0  0.17  1.0
  Tl  Tl3  1  0.22  0.0  0.63  1.0
  Te  Te1  1  0.9  0.0  0.52  1.0
  Au  Au0  1  0.86  0.0  0.62  1.0

data_Tl2TeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   5.86
_cell_length_c   5.93
_cell_angle_alpha   117.07
_cell_angle_beta   90.0
_cell_angle_gamma   111.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TeAu
_chemical_formula_sum   'Tl2 Te1 Au1'
_cell_volume   120.43
_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
  Tl  Tl0  1  0.0  0.78  0.37  1.0
  Tl  Tl1  1  0.0  0.83  0.83  1.0
  Te  Te2  1  0.0  0.1  0.48  1.0
  Au  Au3  1  0.0  0.14  0.38  1.0

Tl Tl Te Au