data_[Na2As1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3280]
_cell_length_b [7.3473]
_cell_length_c [7.9024]
_cell_angle_alpha [103.8354]
_cell_angle_beta [106.8751]
_cell_angle_gamma [115.1238]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2AsAuBr6]
_chemical_formula_sum '[Na2 As1 Au1 Br6]'
_cell_volume [334.8416]
_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  0.5325  0.8967  0.3945  1.0
  Na  Na1  1  0.9727  0.9715  0.0172  1.0
  As  As2  1  0.6576  0.3517  0.0004  1.0
  Au  Au3  1  0.1841  0.3628  0.5238  1.0
  Br  Br4  1  0.1026  0.4456  0.2392  1.0
  Br  Br5  1  0.2478  0.2641  0.8000  1.0
  Br  Br6  1  0.4572  0.1654  0.2151  1.0
  Br  Br7  1  0.5624  0.9518  0.7816  1.0
  Br  Br8  1  0.7968  0.7569  0.2496  1.0
  Br  Br9  1  0.8247  0.5103  0.7937  1.0
]