data_[Na6Al2Bi4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1073]
_cell_length_b [12.3414]
_cell_length_c [7.4444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Al(BiSe3)2]
_chemical_formula_sum '[Na6 Al2 Bi4 Se12]'
_cell_volume [617.8545]
_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  0.0000  0.1751  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3345  0.0000  1.0
  Se  Se4  8  0.2249  0.8504  0.2241  1.0
  Se  Se5  4  0.2212  0.0000  0.7789  1.0
]