data_[Al2Tl14Te9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.6730]
_cell_length_b [9.6730]
_cell_length_c [11.4089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Al2Tl14Te9]
_chemical_formula_sum '[Al2 Tl14 Te9]'
_cell_volume [924.4727]
_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
[
  Al  Al0  2  0.3333  0.6667  0.2980  1
  Tl  Tl1  6  0.0233  0.6777  0.9006  1
  Tl  Tl2  6  0.1113  0.4343  0.6566  1
  Tl  Tl3  2  0.0000  0.0000  0.2912  1
  Te  Te4  6  0.1167  0.3834  0.3790  1
  Te  Te5  2  0.3333  0.6667  0.0648  1
  Te  Te6  1  0.0000  0.0000  0.0000  1
]