data_[K2Li4Np6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2/m]
_cell_length_a [18.7900]
_cell_length_b [4.1643]
_cell_length_c [8.4238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLi2(NpSe2)3]
_chemical_formula_sum '[K2 Li4 Np6 Se12]'
_cell_volume [636.9750]
_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  0.0000  0.5000  0.0000  1
  Li  Li1  4  0.1847  0.0000  0.3475  1
  Np  Np2  4  0.1686  0.0000  0.8271  1
  Np  Np3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0093  0.0000  0.7317  1
  Se  Se5  4  0.1640  0.5000  0.5766  1
  Se  Se6  4  0.1746  0.5000  0.0775  1
]