data_[Nd6Al8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2045]
_cell_length_b [4.3704]
_cell_length_c [8.6556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(Al2Pd)2]
_chemical_formula_sum '[Nd6 Al8 Pd4]'
_cell_volume [407.1343]
_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  0.1245  0.5000  0.3764  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.0869  0.0000  0.6497  1.0
  Al  Al3  4  0.2163  0.5000  0.0716  1.0
  Pd  Pd4  4  0.1875  0.5000  0.7689  1.0
]