data_[Tl6Sn4Ge2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0850]
_cell_length_b [4.5169]
_cell_length_c [9.1905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Sn2GeTe6]
_chemical_formula_sum '[Tl6 Sn4 Ge2 Te12]'
_cell_volume [784.8815]
_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  0.1686  0.0000  0.8287  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn2  4  0.1624  0.0000  0.3241  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0032  0.0000  0.2223  1.0
  Te  Te5  4  0.1564  0.5000  0.0906  1.0
  Te  Te6  4  0.1734  0.5000  0.5684  1.0
]