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 [P2_1/c]
_cell_length_a [6.6156]
_cell_length_b [8.5914]
_cell_length_c [6.6930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PdBr2]
_chemical_formula_sum '[Pd4 Br8]'
_cell_volume [368.3605]
_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  0.2189  0.6310  0.0043  1.0
  Br  Br1  4  0.0110  0.0661  0.2677  1.0
  Br  Br2  4  0.4317  0.6843  0.7560  1.0
]