data_[K1Y1Pd1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7395]
_cell_length_b [5.7501]
_cell_length_c [5.8126]
_cell_angle_alpha [93.1109]
_cell_angle_beta [112.6456]
_cell_angle_gamma [93.3399]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KYPdF6]
_chemical_formula_sum '[K1 Y1 Pd1 F6]'
_cell_volume [176.1281]
_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  0.9778  0.9977  0.0206  1.0
  Y  Y1  1  0.3161  0.4999  0.6837  1.0
  Pd  Pd2  1  0.6671  0.4990  0.3317  1.0
  F  F3  1  0.0031  0.6635  0.3709  1.0
  F  F4  1  0.0565  0.2307  0.6815  1.0
  F  F5  1  0.3280  0.7768  0.9352  1.0
  F  F6  1  0.3501  0.3278  0.3299  1.0
  F  F7  1  0.6265  0.3377  0.9989  1.0
  F  F8  1  0.6752  0.6670  0.6476  1.0
]