data_[Tb3Nd3Fe51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5215]
_cell_length_b [8.5215]
_cell_length_c [12.4423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbNdFe17]
_chemical_formula_sum '[Tb3 Nd3 Fe51]'
_cell_volume [782.4614]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.3395  1
  Nd  Nd1  3  0.0000  0.0000  0.6588  1
  Fe  Fe2  18  0.0009  0.2926  0.0001  1
  Fe  Fe3  9  0.0020  0.5010  0.8431  1
  Fe  Fe4  9  0.1670  0.3339  0.4899  1
  Fe  Fe5  9  0.1670  0.8330  0.8336  1
  Fe  Fe6  3  0.0000  0.0000  0.0970  1
  Fe  Fe7  3  0.0000  0.0000  0.9042  1
]