data_[Tl6Ag2Bi4Te12]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8056]
_cell_length_b [13.4577]
_cell_length_c [8.0738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Ag(BiTe3)2]
_chemical_formula_sum '[Tl6 Ag2 Bi4 Te12]'
_cell_volume [802.7666]
_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  0.1825  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
  Bi  Bi3  4  0.0000  0.3375  0.0000  1.0
  Te  Te4  8  0.2308  0.1584  0.2213  1.0
  Te  Te5  4  0.2442  0.0000  0.7678  1.0
]