data_[Li6Np3Pa3S18]
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 [R3]
_cell_length_a [6.5909]
_cell_length_b [6.5909]
_cell_length_c [18.2138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2NpPaS6]
_chemical_formula_sum '[Li6 Np3 Pa3 S18]'
_cell_volume [685.1987]
_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  3  0.0000  0.0000  0.4853  1
  Li  Li1  3  0.0000  0.0000  0.9858  1
  Np  Np2  3  0.0000  0.0000  0.6746  1
  Pa  Pa3  3  0.0000  0.0000  0.1755  1
  S  S4  9  0.0250  0.3456  0.7527  1
  S  S5  9  0.0257  0.6732  0.2530  1
]