data_TeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   5.82
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAu
_chemical_formula_sum   'Te2 Au2'
_cell_volume   97.74
_cell_formula_units_Z   2
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  Te2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.02  0.91  0.16  1.0
  Au  Au0  1  0.02  0.0  0.07  1.0
  Au  Au1  1  0.0  0.91  0.09  1.0

data_TeAu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.03
_cell_length_b   4.16
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeAu
_chemical_formula_sum   'Te2 Au2'
_cell_volume   97.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Te0  2  0.49  0.42  0.04  1.0
  Au  Au1  2  0.49  0.51  0.96  1.0

Te Te Au Au