data_[K1H1Pd1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7547]
_cell_length_b [5.3479]
_cell_length_c [5.6415]
_cell_angle_alpha [75.4587]
_cell_angle_beta [71.6186]
_cell_angle_gamma [84.9492]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KHPdF6]
_chemical_formula_sum '[K1 H1 Pd1 F6]'
_cell_volume [131.7635]
_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  0.1555  0.0029  0.1168  1.0
  H  H1  1  0.2318  0.3380  0.4988  1.0
  Pd  Pd2  1  0.6592  0.5276  0.6297  1.0
  F  F3  1  0.0442  0.4049  0.4024  1.0
  F  F4  1  0.3042  0.6326  0.8524  1.0
  F  F5  1  0.4163  0.2551  0.5849  1.0
  F  F6  1  0.5992  0.7618  0.3249  1.0
  F  F7  1  0.7184  0.2816  0.9287  1.0
  F  F8  1  0.8714  0.7954  0.6613  1.0
]