data_[K2Np2H2Se6]
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
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0853]
_cell_length_b [3.8942]
_cell_length_c [9.5090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNpHSe3]
_chemical_formula_sum '[K2 Np2 H2 Se6]'
_cell_volume [330.4990]
_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  2  0.1656  0.7500  0.2573  1
  Np  Np1  2  0.3331  0.2500  0.8495  1
  H  H2  2  0.2533  0.7500  0.5704  1
  Se  Se3  2  0.1303  0.7500  0.8859  1
  Se  Se4  2  0.2466  0.2500  0.5553  1
  Se  Se5  2  0.4417  0.2500  0.1523  1
]