data_[Tl12Ag4Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [11.1654]
_cell_length_b [7.5664]
_cell_length_c [9.9750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl3AgTe2]
_chemical_formula_sum '[Tl12 Ag4 Te8]'
_cell_volume [754.4625]
_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  0.2113  0.0112  0.0115  1
  Tl  Tl1  4  0.2348  0.0064  0.4650  1
  Tl  Tl2  4  0.4140  0.2108  0.8329  1
  Ag  Ag3  4  0.0925  0.6664  0.1755  1
  Te  Te4  4  0.0412  0.2276  0.6476  1
  Te  Te5  4  0.3739  0.7308  0.3098  1
]