data_[Rb9Nd9Np3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  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 [8.3457]
_cell_length_b [8.3457]
_cell_length_c [23.4736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb3Nd3NpS8]
_chemical_formula_sum '[Rb9 Nd9 Np3 S24]'
_cell_volume [1415.9012]
_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
[
  Rb  Rb0  9  0.0000  0.5000  0.0000  1
  Nd  Nd1  9  0.0000  0.5000  0.5000  1
  Np  Np2  3  0.0000  0.0000  0.5000  1
  S  S3  18  0.0151  0.5076  0.2290  1
  S  S4  6  0.0000  0.0000  0.2321  1
]