data_[Np4Tc4N12]
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 [C2/m]
_cell_length_a [11.1759]
_cell_length_b [3.9170]
_cell_length_c [5.9479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpTcN3]
_chemical_formula_sum '[Np4 Tc4 N12]'
_cell_volume [244.1034]
_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  0.1118  0.5000  0.3260  1
  Tc  Tc1  4  0.1674  0.0000  0.8847  1
  N  N2  4  0.0340  0.0000  0.1185  1
  N  N3  4  0.1335  0.5000  0.9453  1
  N  N4  4  0.1782  0.0000  0.5617  1
]