data_[Np2Tc2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [5.1606]
_cell_length_b [4.8694]
_cell_length_c [6.0326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [NpTcN4]
_chemical_formula_sum '[Np2 Tc2 N8]'
_cell_volume [151.5934]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.8407  1
  Tc  Tc1  2  0.0000  0.0000  0.1908  1
  N  N2  4  0.1568  0.7488  0.8760  1
  N  N3  4  0.3139  0.2125  0.1083  1
]