data_[Rb4Np4Te2Se12]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6186]
_cell_length_b [15.1273]
_cell_length_c [8.5841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Np2TeSe6]
_chemical_formula_sum '[Rb4 Np4 Te2 Se12]'
_cell_volume [728.6385]
_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
[
  Rb  Rb0  4  0.0000  0.1225  0.0000  1
  Np  Np1  4  0.0000  0.3622  0.5000  1
  Te  Te2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.2478  0.7444  0.2854  1
  Se  Se4  4  0.1385  0.5000  0.7212  1
]