data_[Li1Np2Ti1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Np  1.3600  1.7500  1.0000
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4838]
_cell_length_b [3.3249]
_cell_length_c [5.7651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiNp2TiN4]
_chemical_formula_sum '[Li1 Np2 Ti1 N4]'
_cell_volume [98.6470]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.0000  0.5000  0.5000  1
  Np  Np1  1  0.5000  0.0000  0.5000  1
  Np  Np2  1  0.5000  0.5000  0.0000  1
  Ti  Ti3  1  0.0000  0.0000  0.0000  1
  N  N4  2  0.2379  0.5000  0.2320  1
  N  N5  2  0.2534  0.0000  0.7782  1
]