data_[Ni4H12Pd12]
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 [C2/m]
_cell_length_a [5.6048]
_cell_length_b [9.4391]
_cell_length_c [5.7204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni(HPd)3]
_chemical_formula_sum '[Ni4 H12 Pd12]'
_cell_volume [267.0069]
_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
[
  Ni  Ni0  4  0.2321  0.0000  0.2392  1.0
  H  H1  8  0.0589  0.3697  0.7814  1.0
  Pd  Pd2  4  0.0000  0.2429  0.0000  1.0
  Pd  Pd3  4  0.0000  0.2608  0.5000  1.0
  H  H4  4  0.0981  0.0000  0.9064  1.0
  Pd  Pd5  4  0.2335  0.5000  0.2818  1.0
]