data_[Np8Pa4O44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [10.5413]
_cell_length_b [8.3543]
_cell_length_c [9.8075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Np2PaO11]
_chemical_formula_sum '[Np8 Pa4 O44]'
_cell_volume [863.6992]
_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  0.2500  0.1745  0.5442  1
  Np  Np1  4  0.2500  0.7060  0.4572  1
  Pa  Pa2  4  0.0000  0.0000  0.2377  1
  O  O3  8  0.1144  0.6060  0.5760  1
  O  O4  8  0.1183  0.6959  0.8418  1
  O  O5  8  0.1204  0.1131  0.4173  1
  O  O6  8  0.1220  0.2206  0.1536  1
  O  O7  4  0.2500  0.0205  0.7951  1
  O  O8  4  0.2500  0.0829  0.9183  1
  O  O9  4  0.2500  0.5977  0.0700  1
]