data_[Nd12Ag4Pd12]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1596]
_cell_length_b [10.7701]
_cell_length_c [14.8485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3AgPd3]
_chemical_formula_sum '[Nd12 Ag4 Pd12]'
_cell_volume [665.2028]
_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  8  0.0000  0.1746  0.6007  1
  Nd  Nd1  4  0.0000  0.4452  0.7500  1
  Ag  Ag2  4  0.0000  0.5000  0.0000  1
  Pd  Pd3  8  0.0000  0.1141  0.1030  1
  Pd  Pd4  4  0.0000  0.2801  0.2500  1
]