data_[Nd2H12Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1273]
_cell_length_b [3.9453]
_cell_length_c [7.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(H2Pd)3]
_chemical_formula_sum '[Nd2 H12 Pd6]'
_cell_volume [203.0975]
_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
[
  Nd  Nd0  2  0.2949  0.2500  0.8472  1.0
  Pd  Pd1  2  0.0727  0.2500  0.3821  1.0
  H  H2  2  0.0789  0.2500  0.1208  1.0
  Pd  Pd3  2  0.1229  0.7500  0.1066  1.0
  H  H4  2  0.1570  0.7500  0.3496  1.0
  H  H5  2  0.1732  0.7500  0.6458  1.0
  H  H6  2  0.3583  0.7500  0.0340  1.0
  Pd  Pd7  2  0.3717  0.7500  0.5493  1.0
  H  H8  2  0.3831  0.2500  0.5269  1.0
  H  H9  2  0.4873  0.7500  0.7842  1.0
]