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 [7.1146]
_cell_length_b [7.2038]
_cell_length_c [7.3817]
_cell_angle_alpha [86.3695]
_cell_angle_beta [62.9402]
_cell_angle_gamma [61.8696]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2PdAuBr6]
_chemical_formula_sum '[Na2 Pd1 Au1 Br6]'
_cell_volume [291.5589]
_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  0.0256  0.9864  0.9430  1.0
  Na  Na1  1  0.0704  0.4678  0.4294  1.0
  Pd  Pd2  1  0.6518  0.6746  0.0202  1.0
  Au  Au3  1  0.6485  0.1754  0.5241  1.0
  Br  Br4  1  0.0866  0.5749  0.8060  1.0
  Br  Br5  1  0.2141  0.7834  0.2350  1.0
  Br  Br6  1  0.5425  0.0444  0.2912  1.0
  Br  Br7  1  0.5489  0.9044  0.7639  1.0
  Br  Br8  1  0.7536  0.3133  0.7521  1.0
  Br  Br9  1  0.7811  0.4139  0.2503  1.0
]