data_[Nd4In8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.3526]
_cell_length_b [4.6519]
_cell_length_c [9.9247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdIn2Pd3]
_chemical_formula_sum '[Nd4 In8 Pd12]'
_cell_volume [477.9732]
_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  0.2298  0.2500  0.4453  1
  In  In1  4  0.0154  0.2500  0.8857  1
  In  In2  4  0.1043  0.7500  0.6610  1
  Pd  Pd3  4  0.0268  0.7500  0.3946  1
  Pd  Pd4  4  0.1210  0.2500  0.1459  1
  Pd  Pd5  4  0.2414  0.2500  0.7422  1
]