data_[Np1Be1Au1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5956]
_cell_length_b [5.0136]
_cell_length_c [5.5958]
_cell_angle_alpha [102.1742]
_cell_angle_beta [107.1224]
_cell_angle_gamma [95.1213]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NpBeAuO6]
_chemical_formula_sum '[Np1 Be1 Au1 O6]'
_cell_volume [118.8559]
_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
[
  Np  Np0  1  0.3277  0.4846  0.6661  1
  Be  Be1  1  0.6359  0.5085  0.2116  1
  Au  Au2  1  0.9999  0.0352  0.0280  1
  O  O3  1  0.1106  0.7838  0.7442  1
  O  O4  1  0.2867  0.3375  0.9870  1
  O  O5  1  0.5063  0.1849  0.5858  1
  O  O6  1  0.5206  0.6458  0.4491  1
  O  O7  1  0.7097  0.7062  0.0268  1
  O  O8  1  0.9029  0.3134  0.3016  1
]