data_[Te8Au4]
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 [Pc]
_cell_length_a [8.9660]
_cell_length_b [4.4318]
_cell_length_c [10.2971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Te2Au]
_chemical_formula_sum '[Te8 Au4]'
_cell_volume [335.2991]
_cell_formula_units_Z [4]
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  2  0.0580  0.4434  0.1362  1.0
  Te  Te1  2  0.4360  0.4355  0.1124  1.0
  Te  Te2  2  0.5574  0.0509  0.3833  1.0
  Te  Te3  2  0.9357  0.0141  0.3623  1.0
  Au  Au4  2  0.2472  0.0041  0.3736  1.0
  Au  Au5  2  0.7475  0.4890  0.1246  1.0
]