data_[Cs12Np9Ag3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Np  1.3600  1.7500  1.0000
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5949]
_cell_length_b [8.5949]
_cell_length_c [24.9533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs4Np3AgSe8]
_chemical_formula_sum '[Cs12 Np9 Ag3 Se24]'
_cell_volume [1596.4020]
_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
[
  Cs  Cs0  9  0.0000  0.5000  0.0000  1
  Cs  Cs1  3  -0.0000  -0.0000  0.0000  1
  Np  Np2  9  0.0000  0.5000  0.5000  1
  Ag  Ag3  3  0.0000  0.0000  0.5000  1
  Se  Se4  18  0.0136  0.5068  0.7726  1
  Se  Se5  6  0.0000  0.0000  0.2285  1
]