data_[Np4P12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [14.7904]
_cell_length_b [6.9537]
_cell_length_c [10.4611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Np(PO3)3]
_chemical_formula_sum '[Np4 P12 O36]'
_cell_volume [848.5035]
_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  0.2525  0.2347  0.0028  1
  P  P1  4  0.0081  0.4086  0.2719  1
  P  P2  4  0.0944  0.1048  0.1583  1
  P  P3  4  0.4073  0.4058  0.8393  1
  O  O4  4  0.0054  0.2426  0.3775  1
  O  O5  4  0.0572  0.3043  0.1890  1
  O  O6  4  0.0969  0.4489  0.8897  1
  O  O7  4  0.1111  0.0477  0.7728  1
  O  O8  4  0.1938  0.1438  0.1571  1
  O  O9  4  0.3306  0.3088  0.8679  1
  O  O10  4  0.3537  0.4976  0.1791  1
  O  O11  4  0.3890  0.0203  0.6409  1
  O  O12  4  0.4822  0.4343  0.4760  1
]