data_[Tl8Bi4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2612]
_cell_length_b [13.8171]
_cell_length_c [7.8467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl2BiTe3]
_chemical_formula_sum '[Tl8 Bi4 Te12]'
_cell_volume [841.4123]
_cell_formula_units_Z [4]
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  4  0.0000  0.0858  0.7500  1.0
  Tl  Tl1  4  0.0000  0.2486  0.2500  1.0
  Bi  Bi2  4  0.0000  0.4197  0.7500  1.0
  Te  Te3  8  0.2291  0.4229  0.4969  1.0
  Te  Te4  4  0.2500  0.2500  0.0000  1.0
]