data_[Li2Tl6Bi4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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/m]
_cell_length_a [7.7664]
_cell_length_b [13.5113]
_cell_length_c [7.9909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTl3(BiTe3)2]
_chemical_formula_sum '[Li2 Tl6 Bi4 Te12]'
_cell_volume [793.1795]
_cell_formula_units_Z [2]
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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1796  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  4  0.0000  0.3377  0.0000  1.0
  Te  Te4  8  0.2331  0.1598  0.2254  1.0
  Te  Te5  4  0.2454  0.0000  0.7661  1.0
]