data_[Na6Hf6Te16Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  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 [14.0686]
_cell_length_b [8.5337]
_cell_length_c [8.8596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Hf3Te8Au]
_chemical_formula_sum '[Na6 Hf6 Te16 Au2]'
_cell_volume [912.0550]
_cell_formula_units_Z [2]
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
[
  Na  Na0  4  0.2500  0.2500  0.0000  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Hf  Hf2  4  0.2500  0.2500  0.5000  1
  Hf  Hf3  2  0.0000  0.5000  0.5000  1
  Te  Te4  8  0.0149  0.2696  0.2747  1
  Te  Te5  4  0.2262  0.0000  0.7062  1
  Te  Te6  4  0.2420  0.5000  0.7231  1
  Au  Au7  2  0.0000  0.0000  0.5000  1
]