data_[Nd8Y4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5261]
_cell_length_b [14.7039]
_cell_length_c [5.9230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2YPb3]
_chemical_formula_sum '[Nd8 Y4 Pb12]'
_cell_volume [746.0873]
_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  0.0000  0.0825  0.2500  1.0
  Nd  Nd1  4  0.0000  0.2479  0.7500  1.0
  Y  Y2  4  0.0000  0.4156  0.2500  1.0
  Pb  Pb3  8  0.2438  0.4187  0.0053  1.0
  Pb  Pb4  4  0.2500  0.2500  0.5000  1.0
]