data_[Ni2H14Pd10]
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 [Pm]
_cell_length_a [4.4021]
_cell_length_b [2.9110]
_cell_length_c [17.7510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NiH7Pd5]
_chemical_formula_sum '[Ni2 H14 Pd10]'
_cell_volume [227.4286]
_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  1  0.4892  0.5000  0.7461  1
  Ni  Ni1  1  0.5052  0.5000  0.2573  1
  Pd  Pd2  1  0.0047  0.0000  0.6697  1
  Pd  Pd3  1  0.0178  0.0000  0.0055  1
  Pd  Pd4  1  0.0268  0.0000  0.1768  1
  H  H5  1  0.2324  0.0000  0.9098  1
  H  H6  1  0.2372  0.0000  0.4204  1
  H  H7  1  0.2480  0.0000  0.5860  1
  H  H8  1  0.2630  0.0000  0.7528  1
  H  H9  1  0.2799  0.5000  0.0125  1
  H  H10  1  0.2877  0.0000  0.2688  1
  H  H11  1  0.2997  0.5000  0.1756  1
  Pd  Pd12  1  0.4899  0.5000  0.4161  1
  Pd  Pd13  1  0.4929  0.5000  0.9183  1
  Pd  Pd14  1  0.4998  0.5000  0.5877  1
  Pd  Pd15  1  0.5303  0.5000  0.0927  1
  H  H16  1  0.6889  0.5000  0.8261  1
  H  H17  1  0.7005  0.0000  0.7353  1
  H  H18  1  0.7298  0.0000  0.2524  1
  H  H19  1  0.7429  0.0000  0.4196  1
  H  H20  1  0.7519  0.0000  0.9254  1
  H  H21  1  0.7525  0.0000  0.5856  1
  H  H22  1  0.7905  0.0000  0.0911  1
  Pd  Pd23  1  0.9728  0.0000  0.8298  1
  Pd  Pd24  1  0.9856  0.0000  0.3357  1
  Pd  Pd25  1  0.9948  0.0000  0.5026  1
]