data_[Cs2Rb2Nb2Se8]
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
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0553]
_cell_length_b [6.4402]
_cell_length_c [11.3937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsRbNbSe4]
_chemical_formula_sum '[Cs2 Rb2 Nb2 Se8]'
_cell_volume [575.0913]
_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  0.2637  0.7500  0.0311  1.0
  Rb  Rb1  2  0.2238  0.7500  0.5562  1.0
  Nb  Nb2  2  0.2247  0.2500  0.2961  1.0
  Se  Se3  4  0.0094  0.5242  0.2419  1.0
  Se  Se4  2  0.3539  0.2500  0.5066  1.0
  Se  Se5  2  0.4328  0.2500  0.1744  1.0
]