data_[Np6Al6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6543]
_cell_length_b [10.9818]
_cell_length_c [7.1443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NpAlAu]
_chemical_formula_sum '[Np6 Al6 Au6]'
_cell_volume [365.1640]
_cell_formula_units_Z [6]
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  4  0.5000  0.1716  0.7484  1
  Np  Np1  2  0.5000  0.0000  0.5128  1
  Al  Al2  4  0.0000  0.1221  0.1101  1
  Al  Al3  2  0.0000  0.0000  0.7606  1
  Au  Au4  4  0.0000  0.1738  0.4563  1
  Au  Au5  2  0.5000  0.0000  0.0968  1
]