data_[Na1Sn2Bi1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3379]
_cell_length_b [9.2631]
_cell_length_c [7.7759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaSn2BiI8]
_chemical_formula_sum '[Na1 Sn2 Bi1 I8]'
_cell_volume [528.3949]
_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
[
  Na  Na0  1  0.0000  0.5000  0.0000  1.0
  Sn  Sn1  2  0.5000  0.2535  0.5000  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2436  0.2448  0.1566  1.0
  I  I4  2  0.2395  0.0000  0.6709  1.0
  I  I5  2  0.2695  0.5000  0.6537  1.0
]