data_[Np3U3Be51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  U  1.3800  1.7500  0.9913
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.7029]
_cell_length_b [7.7029]
_cell_length_c [11.2020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NpUBe17]
_chemical_formula_sum '[Np3 U3 Be51]'
_cell_volume [575.6199]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6559  1
  U  U1  3  0.0000  0.0000  0.3442  1
  Be  Be2  18  0.0001  0.2801  0.9999  1
  Be  Be3  9  0.0066  0.5033  0.8416  1
  Be  Be4  9  0.1671  0.3341  0.8335  1
  Be  Be5  9  0.1705  0.3409  0.4916  1
  Be  Be6  3  0.0000  0.0000  0.0976  1
  Be  Be7  3  0.0000  0.0000  0.9025  1
]