data_[K8Np4Zn4S16]
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
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1930]
_cell_length_b [12.0499]
_cell_length_c [8.2256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.1385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2NpZnS4]
_chemical_formula_sum '[K8 Np4 Zn4 S16]'
_cell_volume [822.6628]
_cell_formula_units_Z [4]
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  0.5000  0.0000  1
  K  K1  4  0.2500  0.2500  0.0000  1
  Np  Np2  4  0.0000  0.0000  0.0000  1
  Zn  Zn3  4  0.2500  0.2500  0.5000  1
  S  S4  8  0.0430  0.2281  0.4980  1
  S  S5  8  0.2084  0.0001  0.4458  1
]