data_[Hg8Pd4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9714]
_cell_length_b [11.7163]
_cell_length_c [7.9337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg2PdBr6]
_chemical_formula_sum '[Hg8 Pd4 Br24]'
_cell_volume [1297.2098]
_cell_formula_units_Z [4]
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
[
  Hg  Hg0  8  0.2371  0.4036  0.8302  1
  Pd  Pd1  4  0.0000  0.1786  0.7500  1
  Br  Br2  8  0.0934  0.1710  0.1037  1
  Br  Br3  8  0.1463  0.4500  0.4212  1
  Br  Br4  8  0.1465  0.1812  0.7207  1
]