data_[Rb2Np2Ti2Se6]
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 [P2_1/m]
_cell_length_a [9.4760]
_cell_length_b [4.1802]
_cell_length_c [10.0397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbNpTiSe3]
_chemical_formula_sum '[Rb2 Np2 Ti2 Se6]'
_cell_volume [374.3939]
_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  2  0.2083  0.7500  0.2328  1
  Np  Np1  2  0.3303  0.2500  0.8537  1
  Ti  Ti2  2  0.0835  0.7500  0.6006  1
  Se  Se3  2  0.1157  0.7500  0.8576  1
  Se  Se4  2  0.1995  0.2500  0.5347  1
  Se  Se5  2  0.4645  0.2500  0.1561  1
]