data_[H2Pd1Br5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2197]
_cell_length_b [7.6362]
_cell_length_c [7.8276]
_cell_angle_alpha [81.4145]
_cell_angle_beta [74.8127]
_cell_angle_gamma [87.7874]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H2PdBr5]
_chemical_formula_sum '[H2 Pd1 Br5]'
_cell_volume [240.6875]
_cell_formula_units_Z [1]
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
[
  H  H0  1  0.7538  0.4522  0.6396  1
  H  H1  1  0.8190  0.3827  0.3012  1
  Pd  Pd2  1  0.9688  0.0936  0.8973  1
  Br  Br3  1  0.1441  0.0753  0.5774  1
  Br  Br4  1  0.4436  0.9112  0.9366  1
  Br  Br5  1  0.6810  0.4103  0.8406  1
  Br  Br6  1  0.8167  0.1170  0.2219  1
  Br  Br7  1  0.8188  0.5577  0.3625  1
]