data_[Cs2Rb6Np4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0067]
_cell_length_b [4.2023]
_cell_length_c [9.2954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRb3(NpS3)2]
_chemical_formula_sum '[Cs2 Rb6 Np4 S12]'
_cell_volume [756.8637]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  Rb  Rb1  4  0.1589  0.0000  0.8376  1
  Rb  Rb2  2  0.0000  0.5000  0.5000  1
  Np  Np3  4  0.1749  0.0000  0.3446  1
  S  S4  4  0.0441  0.0000  0.2870  1
  S  S5  4  0.1786  0.5000  0.1550  1
  S  S6  4  0.1835  0.5000  0.5487  1
]