data_[Tl4Ag4Sn8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1325]
_cell_length_b [13.5815]
_cell_length_c [7.1852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAg(SnSe3)2]
_chemical_formula_sum '[Tl4 Ag4 Sn8 Se24]'
_cell_volume [1263.2348]
_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
[
  Tl  Tl0  4  0.0000  0.1736  0.2500  1.0
  Ag  Ag1  4  0.0000  0.2209  0.7500  1.0
  Sn  Sn2  8  0.2021  0.4204  0.2776  1.0
  Se  Se3  8  0.0999  0.0700  0.6092  1.0
  Se  Se4  8  0.1218  0.4301  0.5419  1.0
  Se  Se5  8  0.1413  0.2473  0.1156  1.0
]