data_[Cs2Nb2Ag2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nb  1.6000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1443]
_cell_length_b [9.2318]
_cell_length_c [8.9248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNbAgSe4]
_chemical_formula_sum '[Cs2 Nb2 Ag2 Se8]'
_cell_volume [506.1809]
_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  0.2945  0.2500  0.8287  1.0
  Nb  Nb1  2  0.0317  0.2500  0.3030  1.0
  Ag  Ag2  2  0.4669  0.7500  0.6841  1.0
  Se  Se3  4  0.2539  0.0322  0.3006  1.0
  Se  Se4  2  0.1746  0.7500  0.4630  1.0
  Se  Se5  2  0.2026  0.7500  0.9175  1.0
]