data_[Pd2W4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  W  2.3600  1.3500  0.7667
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4778]
_cell_length_b [8.8211]
_cell_length_c [6.2671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pd(WBr4)2]
_chemical_formula_sum '[Pd2 W4 Br16]'
_cell_volume [799.8861]
_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
[
  Pd  Pd0  2  0.0000  0.0000  0.0000  1
  W  W1  4  0.1285  0.0000  0.3111  1
  Br  Br2  8  0.0951  0.2712  0.2790  1
  Br  Br3  4  0.1245  0.0000  0.7049  1
  Br  Br4  4  0.2182  0.5000  0.8093  1
]