data_[Tl2Si4Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4799]
_cell_length_b [4.3342]
_cell_length_c [8.6135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(SiGe3)2]
_chemical_formula_sum '[Tl2 Si4 Ge12]'
_cell_volume [387.4971]
_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  2  0.0000  0.0000  0.0000  1
  Si  Si1  4  0.2426  0.5000  0.1767  1
  Ge  Ge2  4  0.0163  0.0000  0.3617  1
  Ge  Ge3  4  0.1540  0.5000  0.8496  1
  Ge  Ge4  4  0.1662  0.5000  0.4057  1
]