data_[Rb1Pd1I2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7545]
_cell_length_b [8.4598]
_cell_length_c [8.4927]
_cell_angle_alpha [93.9217]
_cell_angle_beta [113.9254]
_cell_angle_gamma [116.8994]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbPd(IBr3)2]
_chemical_formula_sum '[Rb1 Pd1 I2 Br6]'
_cell_volume [431.9322]
_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
[
  Rb  Rb0  1  0.7844  0.4311  0.2856  1.0
  Pd  Pd1  1  0.9934  0.0204  0.0247  1.0
  I  I2  1  0.6059  0.2498  0.6519  1.0
  I  I3  1  0.7080  0.8526  0.4059  1.0
  Br  Br4  1  0.0559  0.7707  0.1203  1.0
  Br  Br5  1  0.2753  0.1094  0.9268  1.0
  Br  Br6  1  0.2961  0.2703  0.3709  1.0
  Br  Br7  1  0.6709  0.7675  0.6910  1.0
  Br  Br8  1  0.6743  0.9247  0.0865  1.0
  Br  Br9  1  0.9702  0.3009  0.9588  1.0
]