data_[Na8Bi4Te4Se16]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8973]
_cell_length_b [11.8440]
_cell_length_c [8.3689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.0237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2BiTeSe4]
_chemical_formula_sum '[Na8 Bi4 Te4 Se16]'
_cell_volume [889.6905]
_cell_formula_units_Z [4]
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  0.5000  0.0000  1.0
  Na  Na1  4  0.2500  0.2500  0.0000  1.0
  Bi  Bi2  4  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.2500  0.2500  0.5000  1.0
  Se  Se4  8  0.0282  0.2485  0.5234  1.0
  Se  Se5  8  0.2364  0.0104  0.4723  1.0
]