data_[Nd12Ag4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9143]
_cell_length_b [4.7451]
_cell_length_c [15.5176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3AgPb3]
_chemical_formula_sum '[Nd12 Ag4 Pb12]'
_cell_volume [830.2152]
_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  0.0313  0.5000  0.3830  1
  Nd  Nd1  4  0.0969  0.5000  0.9223  1
  Nd  Nd2  4  0.2324  0.5000  0.2276  1
  Ag  Ag3  4  0.2295  0.0000  0.3849  1
  Pb  Pb4  4  0.0112  0.0000  0.2311  1
  Pb  Pb5  4  0.1320  0.0000  0.0755  1
  Pb  Pb6  4  0.1402  0.0000  0.5476  1
]