data_[Na12Al3Bi9Se24]
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 [R-3m]
_cell_length_a [8.2768]
_cell_length_b [8.2768]
_cell_length_c [21.2954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na4AlBi3Se8]
_chemical_formula_sum '[Na12 Al3 Bi9 Se24]'
_cell_volume [1263.3945]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1.0
  Na  Na1  3  -0.0000  -0.0000  0.0000  1.0
  Al  Al2  3  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  9  0.0000  0.5000  0.5000  1.0
  Se  Se4  18  0.0326  0.5163  0.2403  1.0
  Se  Se5  6  0.0000  0.0000  0.2477  1.0
]