data_[Cs2Ba4Na4I14]
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 [Imm2]
_cell_length_a [6.8430]
_cell_length_b [27.0381]
_cell_length_c [6.8408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsBa2Na2I7]
_chemical_formula_sum '[Cs2 Ba4 Na4 I14]'
_cell_volume [1265.6928]
_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  0.0000  0.5000  0.8645  1.0
  Ba  Ba1  4  0.0000  0.1258  0.0002  1.0
  Na  Na2  4  0.0000  0.2499  0.5070  1.0
  I  I3  4  0.0000  0.1285  0.5029  1.0
  I  I4  4  0.0000  0.2520  0.0081  1.0
  I  I5  4  0.0000  0.3761  0.5164  1.0
  I  I6  2  0.0000  0.0000  0.0673  1.0
]