data_[Nd6Al24Fe27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7790]
_cell_length_b [8.7790]
_cell_length_c [12.5748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd2Al8Fe9]
_chemical_formula_sum '[Nd6 Al24 Fe27]'
_cell_volume [839.3017]
_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  0.3603  1
  Al  Al1  18  0.0000  0.3107  0.0000  1
  Al  Al2  6  0.0000  0.0000  0.1186  1
  Fe  Fe3  18  0.0041  0.5021  0.8374  1
  Fe  Fe4  9  0.0000  0.5000  0.5000  1
]