data_[Ni2H10Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [6.4053]
_cell_length_b [6.4053]
_cell_length_c [4.1252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [NiH5Pd4]
_chemical_formula_sum '[Ni2 H10 Pd8]'
_cell_volume [169.2485]
_cell_formula_units_Z [2]
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
[
  Ni  Ni0  2  0.0000  0.0000  0.0266  1.0
  H  H1  8  0.0933  0.2655  0.9945  1.0
  Pd  Pd2  8  0.1057  0.2983  0.5141  1.0
  H  H3  2  0.0000  0.0000  0.4491  1.0
]