data_[Nd2Dy2Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4366]
_cell_length_b [3.4366]
_cell_length_c [12.9478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [NdDyFe]
_chemical_formula_sum '[Nd2 Dy2 Fe2]'
_cell_volume [152.9176]
_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  0.2958  1
  Dy  Dy1  2  0.0000  0.0000  0.0413  1
  Fe  Fe2  2  0.0000  0.0000  0.6628  1
]