data_[Pm12Nd20Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [13.1235]
_cell_length_b [15.9388]
_cell_length_c [6.6336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pm3Nd5Pb2]
_chemical_formula_sum '[Pm12 Nd20 Pb8]'
_cell_volume [1387.5755]
_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
[
  Pm  Pm0  8  0.1292  0.2172  0.0000  1
  Pm  Pm1  4  0.0000  0.0000  0.2500  1
  Nd  Nd2  8  0.0916  0.3375  0.5000  1
  Nd  Nd3  8  0.2483  0.5000  0.2500  1
  Nd  Nd4  4  0.0000  0.5000  0.2500  1
  Pb  Pb5  8  0.1344  0.1485  0.5000  1
]