data_[Na2Te1Au1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5927]
_cell_length_b [8.1318]
_cell_length_c [8.3370]
_cell_angle_alpha [66.7036]
_cell_angle_beta [67.3106]
_cell_angle_gamma [65.0618]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2TeAuI6]
_chemical_formula_sum '[Na2 Te1 Au1 I6]'
_cell_volume [413.6120]
_cell_formula_units_Z [1]
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  1  0.0116  0.9965  0.0282  1.0
  Na  Na1  1  0.4654  0.5051  0.5391  1.0
  Te  Te2  1  0.6759  0.6698  0.9830  1.0
  Au  Au3  1  0.1652  0.1618  0.4866  1.0
  I  I4  1  0.0407  0.7818  0.7550  1.0
  I  I5  1  0.3055  0.5693  0.2092  1.0
  I  I6  1  0.3866  0.0996  0.6964  1.0
  I  I7  1  0.5955  0.8851  0.2351  1.0
  I  I8  1  0.7701  0.4196  0.7628  1.0
  I  I9  1  0.9219  0.2498  0.2894  1.0
]