data_[Nd4Fe4Pb4]
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 [C2/m]
_cell_length_a [12.4587]
_cell_length_b [4.2104]
_cell_length_c [5.6158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdFePb]
_chemical_formula_sum '[Nd4 Fe4 Pb4]'
_cell_volume [291.0247]
_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  4  0.1295  0.0000  0.3154  1
  Fe  Fe1  4  0.2222  0.0000  0.8974  1
  Pb  Pb2  4  0.0854  0.5000  0.7903  1
]