data_[K1Cu2Pd1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9021]
_cell_length_b [6.1627]
_cell_length_c [10.7811]
_cell_angle_alpha [73.8263]
_cell_angle_beta [86.4010]
_cell_angle_gamma [85.7022]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCu2PdBr8]
_chemical_formula_sum '[K1 Cu2 Pd1 Br8]'
_cell_volume [375.2047]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  2  0.4907  0.4245  0.1715  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1902  0.7200  0.1903  1.0
  Br  Br4  2  0.2213  0.8989  0.8112  1.0
  Br  Br5  2  0.2846  0.3068  0.0008  1.0
  Br  Br6  2  0.4637  0.3019  0.4001  1.0
]