data_[Ac18Np6S36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3985]
_cell_length_b [12.3985]
_cell_length_c [14.3783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac3NpS6]
_chemical_formula_sum '[Ac18 Np6 S36]'
_cell_volume [1914.1351]
_cell_formula_units_Z [6]
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
[
  Ac  Ac0  18  0.0460  0.7766  0.7020  1
  Np  Np1  3  0.0000  0.0000  0.0000  1
  Np  Np2  3  0.0000  0.0000  0.5000  1
  S  S3  18  0.0265  0.8168  0.9026  1
  S  S4  18  0.0302  0.8415  0.3812  1
]