data_[Nd2Pd16Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9342]
_cell_length_b [5.5821]
_cell_length_c [14.1875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd(Pd4Au)2]
_chemical_formula_sum '[Nd2 Pd16 Au4]'
_cell_volume [390.7667]
_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  2  0.0000  0.5000  0.5000  1
  Pd  Pd1  8  0.0000  0.2398  0.1387  1
  Pd  Pd2  4  0.0000  0.5000  0.3037  1
  Pd  Pd3  4  0.2499  0.0000  0.5000  1
  Au  Au4  4  0.0000  0.0000  0.3188  1
]