data_[K4H8Pd12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4424]
_cell_length_b [3.0312]
_cell_length_c [8.3417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KH2Pd3]
_chemical_formula_sum '[K4 H8 Pd12]'
_cell_volume [351.8328]
_cell_formula_units_Z [4]
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  4  0.1275  0.0000  0.0160  1.0
  H  H1  4  0.0211  0.5000  0.7348  1.0
  Pd  Pd2  4  0.0386  0.0000  0.3557  1.0
  Pd  Pd3  4  0.1325  0.5000  0.6546  1.0
  Pd  Pd4  4  0.2023  0.5000  0.3612  1.0
  H  H5  4  0.2029  0.0000  0.7384  1.0
]