data_[K4Np4V2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6922]
_cell_length_b [11.4564]
_cell_length_c [7.8747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Np2VS6]
_chemical_formula_sum '[K4 Np4 V2 S12]'
_cell_volume [578.6773]
_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  0.1694  0.0000  1
  Np  Np1  4  0.0000  0.3338  0.5000  1
  V  V2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2217  0.1570  0.6905  1
  S  S4  4  0.2454  0.0000  0.3104  1
]