data_[Na6Bi4Sb2Te12]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7586]
_cell_length_b [13.4432]
_cell_length_c [8.0735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Bi2SbTe6]
_chemical_formula_sum '[Na6 Bi4 Sb2 Te12]'
_cell_volume [797.6730]
_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  0.1689  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi2  4  0.0000  0.3338  0.0000  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2418  0.1636  0.2346  1.0
  Te  Te5  4  0.2488  0.0000  0.7652  1.0
]