data_Te8Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   101.77
_cell_angle_beta   101.77
_cell_angle_gamma   126.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te8Au
_chemical_formula_sum   'Te8 Au1'
_cell_volume   277.46
_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
  Te  Te1  1  0.58  0.42  0.29  1.0
  Te  Te2  1  0.42  0.58  0.29  1.0
  Te  Te3  1  0.7  0.0  0.0  1.0
  Te  Te4  1  0.58  0.58  0.29  1.0
  Te  Te5  1  0.0  0.7  0.0  1.0
  Te  Te6  1  0.01  0.01  0.0  1.0
  Te  Te7  1  0.49  0.0  0.0  1.0
  Te  Te8  1  0.0  0.49  0.0  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Te8Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.58
_cell_length_b   12.99
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   116.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Te8Au
_chemical_formula_sum   'Te16 Au2'
_cell_volume   554.92
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  -0.0  0.42  0.71  1.0
  Te  Te1  4  0.15  0.15  0.0  1.0
  Te  Te2  4  0.26  0.26  0.0  1.0
  Te  Te3  2  0.42  0.0  0.71  1.0
  Te  Te4  2  0.49  0.5  -0.0  1.0
  Au  Au5  2  0.0  0.0  0.0  1.0

Te Te Te Te Te Te Te Te Au
Te Te Te Te Te Te Te Te Au 0 3 o o o 1 3 o o o 2 6 o o o 4 7 o o o 5 8 o o o 