data_[Tl6Ag2Sb4Se12]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2599]
_cell_length_b [12.4508]
_cell_length_c [7.6143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Ag(SbSe3)2]
_chemical_formula_sum '[Tl6 Ag2 Sb4 Se12]'
_cell_volume [652.7525]
_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  0.0000  0.1675  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0000  0.3331  0.0000  1.0
  Se  Se4  8  0.2416  0.1658  0.2192  1.0
  Se  Se5  4  0.2396  0.5000  0.2133  1.0
]