data_[Pd4Br8]
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
]
_symmetry_space_group_name_H-M [Pba2]
_cell_length_a [5.0218]
_cell_length_b [12.2202]
_cell_length_c [19.4089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [32]
_chemical_formula_structural [PdBr2]
_chemical_formula_sum '[Pd4 Br8]'
_cell_volume [1191.0822]
_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  2  0.0000  0.0000  0.5223  1
  Pd  Pd1  2  0.0000  0.5000  0.4289  1
  Br  Br2  4  0.1435  0.1368  0.4223  1
  Br  Br3  2  0.0000  0.0000  0.6494  1
  Br  Br4  2  0.0000  0.5000  0.5548  1
]