data_[Na8Tl2Te6Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9864]
_cell_length_b [8.2513]
_cell_length_c [8.4778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4TlTe3Se8]
_chemical_formula_sum '[Na8 Tl2 Te6 Se16]'
_cell_volume [892.5628]
_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  0.2500  0.2500  0.5000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  Te  Te4  4  0.2500  0.2500  0.0000  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  8  0.0245  0.2706  0.7625  1.0
  Se  Se7  4  0.2234  0.0000  0.1997  1.0
  Se  Se8  4  0.2415  0.5000  0.2267  1.0
]