data_[K4Ni2Pd2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1582]
_cell_length_b [7.1790]
_cell_length_c [12.5099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8254]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2NiPdBr6]
_chemical_formula_sum '[K4 Ni2 Pd2 Br12]'
_cell_volume [527.7310]
_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  4  0.2423  0.0352  0.2501  1.0
  Ni  Ni1  2  0.5000  0.0000  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.2005  0.2107  0.9790  1.0
  Br  Br4  4  0.2693  0.7210  0.9801  1.0
  Br  Br5  4  0.2979  0.5036  0.2581  1.0
]