data_[Na2Pd1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1328]
_cell_length_b [7.2227]
_cell_length_c [7.3810]
_cell_angle_alpha [85.9180]
_cell_angle_beta [62.8101]
_cell_angle_gamma [61.6826]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2PdAuBr6]
_chemical_formula_sum '[Na2 Pd1 Au1 Br6]'
_cell_volume [292.5707]
_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  0.0253  0.9865  0.9430  1
  Na  Na1  1  0.0706  0.4675  0.4294  1
  Pd  Pd2  1  0.6517  0.6748  0.0205  1
  Au  Au3  1  0.6483  0.1756  0.5243  1
  Br  Br4  1  0.0869  0.5753  0.8059  1
  Br  Br5  1  0.2137  0.7831  0.2350  1
  Br  Br6  1  0.5413  0.0454  0.2914  1
  Br  Br7  1  0.5484  0.9040  0.7639  1
  Br  Br8  1  0.7548  0.3124  0.7520  1
  Br  Br9  1  0.7821  0.4138  0.2499  1
]