data_[Tl9Te4]
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 [P6mm]
_cell_length_a [9.5003]
_cell_length_b [9.5003]
_cell_length_c [18.9430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Tl9Te4]
_chemical_formula_sum '[Tl9 Te4]'
_cell_volume [1480.6589]
_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  6  0.2089  0.4179  0.5717  1
  Tl  Tl1  2  0.3333  0.6667  0.3636  1
  Tl  Tl2  1  0.0000  0.0000  0.4080  1
  Te  Te3  3  0.0000  0.5000  0.4560  1
  Te  Te4  1  0.0000  0.0000  0.5663  1
]