data_[Pd2Se4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8952]
_cell_length_b [9.0883]
_cell_length_c [7.0233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pd(SeBr4)2]
_chemical_formula_sum '[Pd2 Se4 Br16]'
_cell_volume [872.4800]
_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  0.0000  0.0000  0.0000  1.0
  Se  Se1  4  0.2347  0.0000  0.6986  1.0
  Br  Br2  8  0.1004  0.1907  0.8806  1.0
  Br  Br3  4  0.1027  0.5000  0.3656  1.0
  Br  Br4  4  0.1392  0.0000  0.3841  1.0
]