data_[Rb8Np4Ti4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Np  1.3600  1.7500  1.0000
  Ti  1.5400  1.4000  0.8517
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2744]
_cell_length_b [19.7294]
_cell_length_c [14.6953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2NpTiSe5]
_chemical_formula_sum '[Rb8 Np4 Ti4 Se20]'
_cell_volume [1239.2707]
_cell_formula_units_Z [4]
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  4  0.0000  0.1262  0.6839  1
  Rb  Rb1  4  0.0000  0.1300  0.3321  1
  Np  Np2  4  0.0000  0.1984  0.0291  1
  Ti  Ti3  4  0.0000  0.4358  0.4259  1
  Se  Se4  4  0.0000  0.0468  0.0117  1
  Se  Se5  4  0.0000  0.3079  0.6508  1
  Se  Se6  4  0.0000  0.3151  0.3919  1
  Se  Se7  4  0.0000  0.3305  0.0091  1
  Se  Se8  4  0.0000  0.4922  0.2895  1
]