data_[Pd2Br8]
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/c]
_cell_length_a [7.0889]
_cell_length_b [8.0615]
_cell_length_c [6.4422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [PdBr4]
_chemical_formula_sum '[Pd2 Br8]'
_cell_volume [353.9199]
_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  0.5000  0.3869  0.2500  1.0
  Br  Br1  4  0.2793  0.1712  0.3197  1.0
  Br  Br2  4  0.2950  0.3856  0.8655  1.0
]