data_[Tl1Ag2Te1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4317]
_cell_length_b [6.5369]
_cell_length_c [8.5608]
_cell_angle_alpha [94.8537]
_cell_angle_beta [94.8978]
_cell_angle_gamma [92.4491]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlAg2TeCl8]
_chemical_formula_sum '[Tl1 Ag2 Te1 Cl8]'
_cell_volume [356.8741]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  2  0.4571  0.4606  0.2719  1.0
  Te  Te2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1944  0.8025  0.7875  1.0
  Cl  Cl4  2  0.2222  0.8316  0.2147  1.0
  Cl  Cl5  2  0.2759  0.3035  0.0113  1.0
  Cl  Cl6  2  0.3080  0.3207  0.5236  1.0
]