data_[Na6Sn4Bi8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8335]
_cell_length_b [4.9303]
_cell_length_c [7.1407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3(SnBi2)2]
_chemical_formula_sum '[Na6 Sn4 Bi8]'
_cell_volume [553.1592]
_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  0.1177  0.0000  0.6327  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.1587  0.5000  0.9910  1
  Bi  Bi3  4  0.0300  0.5000  0.3208  1
  Bi  Bi4  4  0.2273  0.0000  0.2777  1
]