data_[Nd16Pd4Au2]
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 [C2/m]
_cell_length_a [18.7179]
_cell_length_b [5.2695]
_cell_length_c [6.9352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Pd2Au]
_chemical_formula_sum '[Nd16 Pd4 Au2]'
_cell_volume [649.2777]
_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  0.0280  0.0000  0.7848  1.0
  Nd  Nd1  4  0.0932  0.5000  0.4728  1.0
  Nd  Nd2  4  0.1744  0.5000  0.0073  1.0
  Nd  Nd3  4  0.2020  0.0000  0.3461  1.0
  Pd  Pd4  4  0.1720  0.0000  0.7403  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]