data_[Nd16Ag2Pb4]
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 [20.1368]
_cell_length_b [5.2775]
_cell_length_c [7.0447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8AgPb2]
_chemical_formula_sum '[Nd16 Ag2 Pb4]'
_cell_volume [723.5924]
_cell_formula_units_Z [2]
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  0.0153  0.0000  0.7748  1.0
  Nd  Nd1  4  0.0921  0.5000  0.4790  1.0
  Nd  Nd2  4  0.1530  0.5000  0.9999  1.0
  Nd  Nd3  4  0.2128  0.0000  0.3211  1.0
  Ag  Ag4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1805  0.0000  0.7585  1.0
]