data_[K6Np4V2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [7.1371]
_cell_length_b [12.3682]
_cell_length_c [8.0407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Np2VSe6]
_chemical_formula_sum '[K6 Np4 V2 Se12]'
_cell_volume [677.7349]
_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
[
  K  K0  4  0.0000  0.1691  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Np  Np2  4  0.0000  0.3336  0.0000  1
  V  V3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2244  0.1579  0.1995  1
  Se  Se5  4  0.2487  0.0000  0.8000  1
]