data_Te2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   8.42
_cell_angle_alpha   104.81
_cell_angle_beta   104.81
_cell_angle_gamma   32.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Au
_chemical_formula_sum   'Te4 Au2'
_cell_volume   217.54
_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  0.66  0.0  0.9  1.0
  Te  Te3  1  0.2  0.0  0.45  1.0
  Te  Te4  1  0.08  0.0  0.67  1.0
  Te  Te5  1  0.61  0.0  0.22  1.0
  Au  Au0  1  0.73  0.0  0.17  1.0
  Au  Au1  1  0.55  0.0  0.94  1.0

data_Te2Au
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.97
_cell_length_b   7.04
_cell_length_c   8.42
_cell_angle_alpha   104.81
_cell_angle_beta   90.0
_cell_angle_gamma   106.34
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Te2Au
_chemical_formula_sum   'Te4 Au2'
_cell_volume   217.54
_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  0.0  0.03  0.34  1.0
  Te  Te1  2  0.0  0.44  0.11  1.0
  Au  Au2  2  0.0  0.09  0.62  1.0

Te Te Te Te Au Au
Te Te Te Te Au Au 0 5 o o o 1 2 o o o 3 4 o o o 