data_[Tl4Ag2Sn4Se8]
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/m]
_cell_length_a [19.9537]
_cell_length_b [3.9978]
_cell_length_c [6.6334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Ag(SnSe2)2]
_chemical_formula_sum '[Tl4 Ag2 Sn4 Se8]'
_cell_volume [520.4267]
_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
[
  Tl  Tl0  4  0.1249  0.0000  0.5884  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.1531  0.5000  0.0385  1.0
  Se  Se3  4  0.0447  0.5000  0.2600  1.0
  Se  Se4  4  0.2238  0.0000  0.2610  1.0
]