data_[Nd3H24Pt3Rh12]
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
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7189]
_cell_length_b [5.7189]
_cell_length_c [13.9565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NdH8PtRh4]
_chemical_formula_sum '[Nd3 H24 Pt3 Rh12]'
_cell_volume [395.3012]
_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  0.3843  1.0
  H  H1  9  0.0602  0.5301  0.2191  1.0
  H  H2  9  0.0991  0.5496  0.7682  1.0
  H  H3  3  0.0000  0.0000  0.2241  1.0
  H  H4  3  0.0000  0.0000  0.7682  1.0
  Rh  Rh5  9  0.0061  0.5031  0.5088  1.0
  Pt  Pt6  3  0.0000  0.0000  0.0010  1.0
  Rh  Rh7  3  0.0000  0.0000  0.6341  1.0
]