data_[Li12Np3Pa9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [R-3m]
_cell_length_a [7.7118]
_cell_length_b [7.7118]
_cell_length_c [18.9938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4NpPa3S8]
_chemical_formula_sum '[Li12 Np3 Pa9 S24]'
_cell_volume [978.2653]
_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
[
  Li  Li0  9  0.0000  0.5000  0.5000  1
  Li  Li1  3  -0.0000  -0.0000  0.5000  1
  Np  Np2  3  -0.0000  -0.0000  0.0000  1
  Pa  Pa3  9  0.0000  0.5000  0.0000  1
  S  S4  18  0.0028  0.5014  0.2468  1
  S  S5  6  0.0000  0.0000  0.2454  1
]