data_[K1Np1Pa2S8]
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
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2286]
_cell_length_b [8.3317]
_cell_length_c [6.4476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KNp(PaS4)2]
_chemical_formula_sum '[K1 Np1 Pa2 S8]'
_cell_volume [334.4804]
_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  0.0000  0.5000  0.0000  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Pa  Pa2  2  0.5000  0.2501  0.5000  1
  S  S3  4  0.2492  0.2119  0.1671  1
  S  S4  2  0.2778  0.0000  0.6655  1
  S  S5  2  0.2798  0.5000  0.6192  1
]