data_[Cs2Ba2Na2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5693]
_cell_length_b [8.4628]
_cell_length_c [10.6967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBaNaI4]
_chemical_formula_sum '[Cs2 Ba2 Na2 I8]'
_cell_volume [734.4048]
_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  0.2485  0.7500  0.0515  1.0
  Ba  Ba1  2  0.2158  0.7500  0.5537  1.0
  Na  Na2  2  0.2449  0.2500  0.3208  1.0
  I  I3  4  0.0162  0.0070  0.7156  1.0
  I  I4  2  0.4575  0.2500  0.1475  1.0
  I  I5  2  0.4811  0.2500  0.5964  1.0
]