data_[Nd6Al4Fe8]
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 [C2/m]
_cell_length_a [10.5073]
_cell_length_b [4.1729]
_cell_length_c [8.2371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(AlFe2)2]
_chemical_formula_sum '[Nd6 Al4 Fe8]'
_cell_volume [355.7601]
_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  4  0.1281  0.5000  0.3760  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.1694  0.5000  0.7762  1
  Fe  Fe3  4  0.0771  0.0000  0.6301  1
  Fe  Fe4  4  0.2479  0.0000  0.9232  1
]