data_[Tl6Ge4Cl14]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3355]
_cell_length_b [26.5264]
_cell_length_c [5.2530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tl3Ge2Cl7]
_chemical_formula_sum '[Tl6 Ge4 Cl14]'
_cell_volume [743.4763]
_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  0.3183  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge2  4  0.0000  0.1061  0.0000  1.0
  Cl  Cl3  4  0.0000  0.1044  0.5000  1.0
  Cl  Cl4  4  0.0000  0.2001  0.0000  1.0
  Cl  Cl5  4  0.0000  0.3967  0.0000  1.0
  Cl  Cl6  2  0.0000  0.0000  0.0000  1.0
]