data_[Re2Pd1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1722]
_cell_length_b [7.2679]
_cell_length_c [8.4638]
_cell_angle_alpha [107.6657]
_cell_angle_beta [91.2391]
_cell_angle_gamma [99.8233]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Re2PdBr8]
_chemical_formula_sum '[Re2 Pd1 Br8]'
_cell_volume [355.3766]
_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
[
  Re  Re0  2  0.3948  0.3807  0.3609  1
  Pd  Pd1  1  0.0000  0.5000  0.5000  1
  Br  Br2  2  0.1935  0.0304  0.2393  1
  Br  Br3  2  0.2389  0.4147  0.1006  1
  Br  Br4  2  0.2584  0.7537  0.7148  1
  Br  Br5  2  0.3937  0.2845  0.6204  1
]