data_[Na4Tl4Ge8Se24]
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
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0469]
_cell_length_b [13.5108]
_cell_length_c [6.8737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTl(GeSe3)2]
_chemical_formula_sum '[Na4 Tl4 Ge8 Se24]'
_cell_volume [1186.7303]
_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  0.3640  0.7500  1.0
  Tl  Tl1  4  0.0000  0.1855  0.2500  1.0
  Ge  Ge2  8  0.2187  0.4157  0.2927  1.0
  Se  Se3  8  0.1002  0.0706  0.6097  1.0
  Se  Se4  8  0.1344  0.4531  0.5285  1.0
  Se  Se5  8  0.1489  0.2598  0.1317  1.0
]