data_[Np6Be48Si3]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.7591]
_cell_length_b [7.7591]
_cell_length_c [11.2802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Np2Be16Si]
_chemical_formula_sum '[Np6 Be48 Si3]'
_cell_volume [588.1222]
_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  0.3423  1
  Np  Np1  3  0.0000  0.0000  0.6596  1
  Be  Be2  18  0.0456  0.3787  0.6657  1
  Be  Be3  9  0.0070  0.5035  0.5001  1
  Be  Be4  9  0.1671  0.3342  0.1755  1
  Be  Be5  9  0.1684  0.3367  0.4924  1
  Be  Be6  3  0.0000  0.0000  0.9010  1
  Si  Si7  3  0.0000  0.0000  0.0989  1
]