data_[Np4Zn44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [10.5554]
_cell_length_b [10.5554]
_cell_length_c [6.8704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [NpZn11]
_chemical_formula_sum '[Np4 Zn44]'
_cell_volume [765.4678]
_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
  Zn  Zn1  32  0.1211  0.2049  0.8001  1
  Zn  Zn2  8  0.0000  0.2500  0.1250  1
  Zn  Zn3  4  0.0000  0.0000  0.0000  1
]