data_[Ba1Np1H2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Np  1.3600  1.7500  1.0000
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0916]
_cell_length_b [5.6412]
_cell_length_c [6.0647]
_cell_angle_alpha [69.2494]
_cell_angle_beta [74.4030]
_cell_angle_gamma [64.1517]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaNp(HO3)2]
_chemical_formula_sum '[Ba1 Np1 H2 O6]'
_cell_volume [145.2353]
_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
[
  Ba  Ba0  1  0.4893  0.4983  0.5305  1
  Np  Np1  1  0.0003  0.9852  0.0246  1
  H  H2  1  0.3963  0.2246  0.1803  1
  H  H3  1  0.6648  0.8347  0.8454  1
  O  O4  1  0.0586  0.2743  0.7712  1
  O  O5  1  0.1971  0.0209  0.2383  1
  O  O6  1  0.4103  0.7100  0.8926  1
  O  O7  1  0.5614  0.2835  0.1651  1
  O  O8  1  0.7796  0.9592  0.7860  1
  O  O9  1  0.9200  0.6973  0.2635  1
]