data_[Np1Pd12Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0590]
_cell_length_b [4.0590]
_cell_length_c [15.9489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Np(Pd4Au)3]
_chemical_formula_sum '[Np1 Pd12 Au3]'
_cell_volume [262.7668]
_cell_formula_units_Z [1]
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
[
  Np  Np0  1  0.0000  0.0000  0.0000  1
  Pd  Pd1  4  0.0000  0.5000  0.1265  1
  Pd  Pd2  4  0.0000  0.5000  0.3775  1
  Pd  Pd3  2  0.5000  0.5000  0.2535  1
  Pd  Pd4  1  0.5000  0.5000  0.0000  1
  Pd  Pd5  1  0.5000  0.5000  0.5000  1
  Au  Au6  2  0.0000  0.0000  0.2541  1
  Au  Au7  1  0.0000  0.0000  0.5000  1
]