data_[Te8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9161]
_cell_length_b [4.1229]
_cell_length_c [9.4715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TeAu]
_chemical_formula_sum '[Te8 Au8]'
_cell_volume [491.4772]
_cell_formula_units_Z [8]
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  Te0  4  0.1086  0.5000  0.7389  1.0
  Te  Te1  4  0.1714  0.5000  0.3019  1.0
  Au  Au2  4  0.0314  0.0000  0.2796  1.0
  Au  Au3  4  0.1648  0.5000  0.0225  1.0
]