data_[Np4Ti4P8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Ti  1.5400  1.4000  0.8517
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3251]
_cell_length_b [9.1397]
_cell_length_c [5.5133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NpTi(PN3)2]
_chemical_formula_sum '[Np4 Ti4 P8 N24]'
_cell_volume [484.5004]
_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  0.1059  0.2500  1
  Ti  Ti1  4  0.0000  0.2891  0.7500  1
  P  P2  8  0.2061  0.4200  0.1708  1
  N  N3  8  0.1060  0.2782  0.1347  1
  N  N4  8  0.1265  0.1109  0.6868  1
  N  N5  8  0.1588  0.4572  0.8502  1
]