data_[Pd4Br8Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [21.1366]
_cell_length_b [5.2152]
_cell_length_c [10.0007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Pd(BrCl2)2]
_chemical_formula_sum '[Pd4 Br8 Cl16]'
_cell_volume [1007.5654]
_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
[
  Pd  Pd0  4  0.2315  0.6104  0.8194  1
  Br  Br1  4  0.1899  0.8182  0.9914  1
  Br  Br2  2  0.0000  0.4348  0.5000  1
  Br  Br3  2  0.0000  0.9351  0.0000  1
  Cl  Cl4  4  0.0259  0.4346  0.2886  1
  Cl  Cl5  4  0.0262  0.9350  0.2560  1
  Cl  Cl6  4  0.1713  0.8986  0.6429  1
  Cl  Cl7  4  0.2472  0.8693  0.3475  1
]