data_[Tl16Zn32Te48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.2028]
_cell_length_b [27.6658]
_cell_length_c [12.8753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [TlZn2Te3]
_chemical_formula_sum '[Tl16 Zn32 Te48]'
_cell_volume [3278.0889]
_cell_formula_units_Z [16]
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  16  0.0012  0.3262  0.0892  1
  Zn  Zn1  16  0.0049  0.3355  0.5789  1
  Zn  Zn2  8  0.0000  0.0000  0.0807  1
  Zn  Zn3  8  0.0000  0.0000  0.5826  1
  Te  Te4  16  0.0002  0.2370  0.9414  1
  Te  Te5  16  0.0290  0.0783  0.4653  1
  Te  Te6  16  0.0339  0.4181  0.4685  1
]