data_[Tl14Sb2Te9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.3535]
_cell_length_b [10.3535]
_cell_length_c [9.5204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Tl14Sb2Te9]
_chemical_formula_sum '[Tl14 Sb2 Te9]'
_cell_volume [883.8165]
_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  0.0189  0.6778  0.0487  1
  Tl  Tl1  6  0.1442  0.4583  0.6306  1
  Tl  Tl2  2  0.0000  0.0000  0.3271  1
  Sb  Sb3  2  0.3333  0.6667  0.3022  1
  Te  Te4  6  0.0627  0.3574  0.3036  1
  Te  Te5  2  0.3333  0.6667  0.9742  1
  Te  Te6  1  0.0000  0.0000  0.0000  1
]