data_[Nd3H24Pd3Rh12]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6828]
_cell_length_b [5.6828]
_cell_length_c [13.9869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NdH8PdRh4]
_chemical_formula_sum '[Nd3 H24 Pd3 Rh12]'
_cell_volume [391.1847]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3804  1
  H  H1  9  0.0317  0.5158  0.2300  1
  H  H2  9  0.0941  0.5470  0.7680  1
  H  H3  3  0.0000  0.0000  0.2202  1
  H  H4  3  0.0000  0.0000  0.7637  1
  Pd  Pd5  3  0.0000  0.0000  0.9973  1
  Rh  Rh6  9  0.0050  0.5025  0.5031  1
  Rh  Rh7  3  0.0000  0.0000  0.6350  1
]