data_[K2Ni2Pd2Br12]
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 [C2]
_cell_length_a [6.7897]
_cell_length_b [11.3502]
_cell_length_c [7.4062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KNiPdBr6]
_chemical_formula_sum '[K2 Ni2 Pd2 Br12]'
_cell_volume [570.5796]
_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  0.0025  0.5000  1.0
  Ni  Ni1  2  0.0000  0.6712  0.0000  1.0
  Pd  Pd2  2  0.0000  0.3347  0.0000  1.0
  Br  Br3  4  0.1280  0.5004  0.1941  1.0
  Br  Br4  4  0.1744  0.8107  0.2087  1.0
  Br  Br5  4  0.1868  0.1844  0.1864  1.0
]