data_[Na4Au2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [8.5910]
_cell_length_b [20.1587]
_cell_length_c [8.3647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [Na2AuI3]
_chemical_formula_sum '[Na4 Au2 I6]'
_cell_volume [1448.6222]
_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  0.4452  0.7500  1
  Au  Au1  2  0.0000  0.5000  0.5000  1
  I  I2  4  0.0000  0.3720  0.5322  1
  I  I3  2  0.0000  0.5000  0.0000  1
]