data_[K1Cu2Pd1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1179]
_cell_length_b [7.8146]
_cell_length_c [8.0253]
_cell_angle_alpha [104.5129]
_cell_angle_beta [102.6564]
_cell_angle_gamma [105.1190]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCu2PdCl8]
_chemical_formula_sum '[K1 Cu2 Pd1 Cl8]'
_cell_volume [341.5671]
_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  0.5000  0.5000  0.0000  1.0
  Cu  Cu1  2  0.1657  0.7127  0.6522  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0322  0.7019  0.9733  1.0
  Cl  Cl4  2  0.1087  0.9950  0.7340  1.0
  Cl  Cl5  2  0.2100  0.4296  0.5599  1.0
  Cl  Cl6  2  0.4408  0.1646  0.1893  1.0
]