data_[K1Np2Cu2S6]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0448]
_cell_length_b [7.2341]
_cell_length_c [7.3864]
_cell_angle_alpha [61.9755]
_cell_angle_beta [62.3440]
_cell_angle_gamma [60.9616]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KNp2(CuS3)2]
_chemical_formula_sum '[K1 Np2 Cu2 S6]'
_cell_volume [276.5942]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  Np  Np1  2  0.1724  0.1710  0.4867  1
  Cu  Cu2  2  0.0562  0.8026  0.9301  1
  S  S3  2  0.0372  0.4179  0.7368  1
  S  S4  2  0.1873  0.9601  0.2610  1
  S  S5  2  0.4085  0.8158  0.7372  1
]