data_[Tl6In2Bi4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  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 [7.8275]
_cell_length_b [13.5394]
_cell_length_c [8.4493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3In(BiTe3)2]
_chemical_formula_sum '[Tl6 In2 Bi4 Te12]'
_cell_volume [851.3089]
_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
[
  Tl  Tl0  4  0.0000  0.1711  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3340  0.0000  1.0
  Te  Te4  8  0.2321  0.1602  0.2163  1.0
  Te  Te5  4  0.2471  0.0000  0.7798  1.0
]