data_[Nd24Fe8Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7470]
_cell_length_b [10.1556]
_cell_length_c [10.2984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd6Fe2Pb]
_chemical_formula_sum '[Nd24 Fe8 Pb4]'
_cell_volume [1019.4095]
_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  0.0000  0.2105  0.2349  1
  Nd  Nd1  8  0.1858  0.5000  0.1720  1
  Nd  Nd2  8  0.2169  0.3159  0.5000  1
  Fe  Fe3  4  0.0000  0.3326  0.0000  1
  Fe  Fe4  4  0.0000  0.5000  0.3928  1
  Pb  Pb5  2  0.0000  0.0000  0.0000  1
  Pb  Pb6  2  0.0000  0.0000  0.5000  1
]