data_[Te8Au12]
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 [15.8774]
_cell_length_b [4.2942]
_cell_length_c [8.4909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2Au3]
_chemical_formula_sum '[Te8 Au12]'
_cell_volume [572.8192]
_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  4  0.1005  0.0000  0.3826  1
  Te  Te1  4  0.1392  0.5000  0.9377  1
  Au  Au2  4  0.0620  0.0000  0.7798  1
  Au  Au3  4  0.1071  0.5000  0.5779  1
  Au  Au4  4  0.2250  0.0000  0.2102  1
]