data_[Tl6Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0473]
_cell_length_b [5.2206]
_cell_length_c [20.3925]
_cell_angle_alpha [83.3910]
_cell_angle_beta [86.4303]
_cell_angle_gamma [81.3134]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl3Te4]
_chemical_formula_sum '[Tl6 Te8]'
_cell_volume [527.0880]
_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  1  0.1757  0.5427  0.7370  1
  Tl  Tl1  1  0.3551  0.0508  0.6246  1
  Tl  Tl2  1  0.4363  0.9301  0.3969  1
  Tl  Tl3  1  0.5818  0.3847  0.9130  1
  Tl  Tl4  1  0.6894  0.7023  0.0829  1
  Tl  Tl5  1  0.7320  0.3089  0.2488  1
  Te  Te6  1  0.0039  0.8136  0.8741  1
  Te  Te7  1  0.0205  0.5120  0.3744  1
  Te  Te8  1  0.1185  0.0727  0.0051  1
  Te  Te9  1  0.1776  0.7749  0.2517  1
  Te  Te10  1  0.2555  0.2424  0.1238  1
  Te  Te11  1  0.7642  0.1206  0.7642  1
  Te  Te12  1  0.8285  0.5103  0.5822  1
  Te  Te13  1  0.8933  0.0275  0.5164  1
]