data_[Na6Tl6Pd2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5553]
_cell_length_b [8.4687]
_cell_length_c [9.1656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Tl3PdBr8]
_chemical_formula_sum '[Na6 Tl6 Pd2 Br16]'
_cell_volume [1003.7389]
_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  0.2500  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  2  0.0000  0.0000  0.5000  1.0
  Br  Br5  8  0.0112  0.2092  0.3208  1.0
  Br  Br6  4  0.1992  0.5000  0.2266  1.0
  Br  Br7  4  0.2381  0.5000  0.7144  1.0
]