data_[Li6Np2V4Se12]
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
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5859]
_cell_length_b [11.4061]
_cell_length_c [6.8006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Np(VSe3)2]
_chemical_formula_sum '[Li6 Np2 V4 Se12]'
_cell_volume [482.8230]
_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  4  0.0000  0.1603  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Np  Np2  2  0.0000  0.0000  0.0000  1
  V  V3  4  0.0000  0.3323  0.0000  1
  Se  Se4  8  0.2409  0.3211  0.7612  1
  Se  Se5  4  0.2226  0.5000  0.2391  1
]