data_[K2Pd2Se2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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]
_cell_length_a [8.6015]
_cell_length_b [11.4372]
_cell_length_c [6.9584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KPdSeBr6]
_chemical_formula_sum '[K2 Pd2 Se2 Br12]'
_cell_volume [668.3557]
_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
[
  K  K0  2  0.0000  0.9769  0.5000  1
  Pd  Pd1  2  0.0000  0.6677  0.0000  1
  Se  Se2  2  0.0000  0.3241  0.0000  1
  Br  Br3  4  0.1279  0.5137  0.2277  1
  Br  Br4  4  0.1590  0.1869  0.2338  1
  Br  Br5  4  0.1626  0.8142  0.2044  1
]