data_[Np4Cu8Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [11.1976]
_cell_length_b [11.1976]
_cell_length_c [7.2165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [NpCu2Au9]
_chemical_formula_sum '[Np4 Cu8 Au36]'
_cell_volume [904.8471]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.5000  1
  Cu  Cu1  8  0.0000  0.2500  0.1250  1
  Au  Au2  32  0.1213  0.1962  0.8029  1
  Au  Au3  4  0.0000  0.0000  0.0000  1
]