data_[Na2Bi1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5104]
_cell_length_b [7.5122]
_cell_length_c [8.1341]
_cell_angle_alpha [114.0840]
_cell_angle_beta [92.4561]
_cell_angle_gamma [119.7115]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2BiAuBr6]
_chemical_formula_sum '[Na2 Bi1 Au1 Br6]'
_cell_volume [346.0722]
_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  0.0046  0.0134  0.9820  1.0
  Na  Na1  1  0.5070  0.9492  0.4162  1.0
  Bi  Bi2  1  0.6896  0.3532  0.0161  1.0
  Au  Au3  1  0.1072  0.3480  0.7291  1.0
  Br  Br4  1  0.0702  0.4769  0.2356  1.0
  Br  Br5  1  0.2698  0.1324  0.7144  1.0
  Br  Br6  1  0.4321  0.1893  0.2255  1.0
  Br  Br7  1  0.5972  0.8964  0.7547  1.0
  Br  Br8  1  0.7740  0.8166  0.2143  1.0
  Br  Br9  1  0.8867  0.5015  0.7273  1.0
]