data_[Ba1Na2Ce1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4000]
_cell_length_b [9.7838]
_cell_length_c [7.6959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaNa2CeI8]
_chemical_formula_sum '[Ba1 Na2 Ce1 I8]'
_cell_volume [556.6600]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.0000  1.0
  Na  Na1  2  0.5000  0.2593  0.5000  1.0
  Ce  Ce2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2343  0.2179  0.8424  1.0
  I  I4  2  0.2518  0.0000  0.3208  1.0
  I  I5  2  0.2643  0.5000  0.3603  1.0
]