data_[Li2Hf2Np2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Np  1.3600  1.7500  1.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6545]
_cell_length_b [3.1876]
_cell_length_c [6.9806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiHfNpN3]
_chemical_formula_sum '[Li2 Hf2 Np2 N6]'
_cell_volume [144.0367]
_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
[
  Li  Li0  2  0.4121  0.2500  0.9187  1
  Hf  Hf1  2  0.1787  0.7500  0.6585  1
  Np  Np2  2  0.2221  0.7500  0.1902  1
  N  N3  2  0.1233  0.2500  0.8698  1
  N  N4  2  0.1659  0.2500  0.4371  1
  N  N5  2  0.4858  0.2500  0.2037  1
]