data_[Tl6Ga18Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4050]
_cell_length_b [10.6867]
_cell_length_c [13.0654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tl3Ga9Ge2]
_chemical_formula_sum '[Tl6 Ga18 Ge4]'
_cell_volume [615.0623]
_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  0.0000  0.3086  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.0000  0.2794  0.1489  1
  Ga  Ga3  8  0.0000  0.3756  0.3446  1
  Ga  Ga4  2  0.0000  0.5000  0.0000  1
  Ge  Ge5  4  0.0000  0.2034  0.5000  1
]