data_[K12Pr3Np9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2640]
_cell_length_b [8.2640]
_cell_length_c [22.0940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K4PrNp3S8]
_chemical_formula_sum '[K12 Pr3 Np9 S24]'
_cell_volume [1306.7169]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  K  K1  3  -0.0000  -0.0000  0.5000  1
  Pr  Pr2  3  -0.0000  -0.0000  0.0000  1
  Np  Np3  9  0.0000  0.5000  0.0000  1
  S  S4  18  0.0081  0.5040  0.2651  1
  S  S5  6  0.0000  0.0000  0.2677  1
]