data_[Nd6Hf3Al3Pt18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7169]
_cell_length_b [5.7169]
_cell_length_c [23.9276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd2HfAlPt6]
_chemical_formula_sum '[Nd6 Hf3 Al3 Pt18]'
_cell_volume [677.2572]
_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  6  0.0000  0.0000  0.2939  1
  Hf  Hf1  3  -0.0000  -0.0000  0.5000  1
  Al  Al2  3  0.0000  0.0000  0.0000  1
  Pt  Pt3  18  0.0043  0.5021  0.7461  1
]