data_[Nd2Fe20W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7055]
_cell_length_b [8.6116]
_cell_length_c [8.7178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd(Fe5W)2]
_chemical_formula_sum '[Nd2 Fe20 W4]'
_cell_volume [353.2640]
_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  2  0.0000  0.0000  0.0000  1
  Fe  Fe1  8  0.2500  0.2500  0.2500  1
  Fe  Fe2  4  0.0000  0.2742  0.5000  1
  Fe  Fe3  4  0.0000  0.3595  0.0000  1
  Fe  Fe4  4  0.0000  0.5000  0.2700  1
  W  W5  4  0.0000  0.0000  0.3560  1
]