data_[Tl9Ge11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.4530]
_cell_length_b [9.4530]
_cell_length_c [20.2714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Tl9Ge11]
_chemical_formula_sum '[Tl9 Ge11]'
_cell_volume [1568.7356]
_cell_formula_units_Z [1]
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  6  0.2032  0.4132  0.3824  1
  Tl  Tl1  3  0.0000  0.5727  0.6424  1
  Ge  Ge2  6  0.1556  0.3980  0.5530  1
  Ge  Ge3  3  0.0000  0.8278  0.4900  1
  Ge  Ge4  2  0.3333  0.6667  0.4954  1
]