data_[Np4Pa8Be4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pa  1.5000  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3400]
_cell_length_b [13.1082]
_cell_length_c [10.1563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NpPa2BeN5]
_chemical_formula_sum '[Np4 Pa8 Be4 N20]'
_cell_volume [444.6572]
_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  0.0000  0.1670  0.0431  1
  Pa  Pa1  4  0.0000  0.1101  0.6900  1
  Pa  Pa2  4  0.0000  0.1453  0.3481  1
  Be  Be3  4  0.0000  0.4659  0.4083  1
  N  N4  4  0.0000  0.0049  0.9779  1
  N  N5  4  0.0000  0.2842  0.6988  1
  N  N6  4  0.0000  0.3314  0.3871  1
  N  N7  4  0.0000  0.3323  0.0205  1
  N  N8  4  0.0000  0.4900  0.7501  1
]