data_[Te6Au6]
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 [Cm]
_cell_length_a [11.6622]
_cell_length_b [4.3184]
_cell_length_c [7.4134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TeAu]
_chemical_formula_sum '[Te6 Au6]'
_cell_volume [365.9380]
_cell_formula_units_Z [6]
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  0.0369  0.0000  0.1494  1
  Te  Te1  2  0.2310  0.0000  0.9495  1
  Te  Te2  2  0.4136  0.5000  0.4983  1
  Au  Au3  2  0.1490  0.5000  0.3212  1
  Au  Au4  2  0.2248  0.5000  0.7349  1
  Au  Au5  2  0.2780  0.0000  0.5132  1
]