data_[Na6Bi2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9396]
_cell_length_b [8.5698]
_cell_length_c [14.1545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3BiI6]
_chemical_formula_sum '[Na6 Bi2 I12]'
_cell_volume [807.8935]
_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
[
  Na  Na0  4  0.3112  0.0903  0.7966  1
  Na  Na1  2  0.5000  0.0000  0.5000  1
  Bi  Bi2  2  0.0000  0.0000  0.0000  1
  I  I3  4  0.0928  0.0717  0.2404  1
  I  I4  4  0.2650  0.7001  0.0912  1
  I  I5  4  0.3801  0.1816  0.0561  1
]