data_[Tl2Te2]
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 [P-1]
_cell_length_a [5.1272]
_cell_length_b [5.6504]
_cell_length_c [6.1328]
_cell_angle_alpha [114.4963]
_cell_angle_beta [95.7935]
_cell_angle_gamma [103.9976]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlTe]
_chemical_formula_sum '[Tl2 Te2]'
_cell_volume [152.7501]
_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  2  0.1636  0.8808  0.1944  1.0
  Te  Te1  2  0.4405  0.4733  0.7218  1.0
]