data_[Np3Al2Ga9Au1]
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
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6971]
_cell_length_b [5.6971]
_cell_length_c [12.3248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Np3Al2Ga9Au]
_chemical_formula_sum '[Np3 Al2 Ga9 Au1]'
_cell_volume [346.4341]
_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  2  0.3333  0.6667  0.7839  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Al  Al2  2  0.3333  0.6667  0.1640  1
  Ga  Ga3  6  0.1640  0.3279  0.3297  1
  Ga  Ga4  3  0.0000  0.5000  0.0000  1
  Au  Au5  1  0.0000  0.0000  0.5000  1
]