data_[Pd2I3Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pm]
_cell_length_a [6.7893]
_cell_length_b [6.3861]
_cell_length_c [6.8066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Pd2(IBr)3]
_chemical_formula_sum '[Pd2 I3 Br3]'
_cell_volume [256.6612]
_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
[
  Pd  Pd0  2  0.0005  0.2497  0.9982  1
  I  I1  1  0.3403  0.5000  0.3288  1
  I  I2  1  0.6627  0.0000  0.6647  1
  I  I3  1  0.9814  0.0000  0.3112  1
  Br  Br4  1  0.0129  0.5000  0.7015  1
  Br  Br5  1  0.2915  0.0000  0.9919  1
  Br  Br6  1  0.7104  0.5000  0.0055  1
]