data_[Cs1Na2Nb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2639]
_cell_length_b [8.0868]
_cell_length_c [10.5586]
_cell_angle_alpha [69.8977]
_cell_angle_beta [78.7489]
_cell_angle_gamma [88.7387]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNa2NbBr8]
_chemical_formula_sum '[Cs1 Na2 Nb1 Br8]'
_cell_volume [492.0258]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Na  Na1  2  0.4261  0.9734  0.6853  1
  Nb  Nb2  1  0.0000  0.0000  0.0000  1
  Br  Br3  2  0.1241  0.9963  0.2210  1
  Br  Br4  2  0.2489  0.7522  0.9829  1
  Br  Br5  2  0.2975  0.2293  0.8513  1
  Br  Br6  2  0.4812  0.7244  0.5533  1
]