data_[Li2Np6Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7924]
_cell_length_b [5.7924]
_cell_length_c [11.5609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [LiNp3Se4]
_chemical_formula_sum '[Li2 Np6 Se8]'
_cell_volume [387.8860]
_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  0.0000  0.0000  0.0000  1
  Np  Np1  4  0.0000  0.5000  0.2500  1
  Np  Np2  2  0.0000  0.0000  0.5000  1
  Se  Se3  4  0.0000  0.0000  0.2472  1
  Se  Se4  4  0.0000  0.5000  0.0000  1
]