data_[Nd8Y20Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [20.3297]
_cell_length_b [7.0765]
_cell_length_c [7.0623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd2Y5Fe2]
_chemical_formula_sum '[Nd8 Y20 Fe8]'
_cell_volume [1016.0091]
_cell_formula_units_Z [4]
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  8  0.2322  0.0000  0.0000  1
  Y  Y1  16  0.1063  0.1812  0.3216  1
  Y  Y2  4  0.0000  0.0000  0.0000  1
  Fe  Fe3  8  0.0000  0.1080  0.6055  1
]