data_[Tl4Ge4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0886]
_cell_length_b [6.0795]
_cell_length_c [9.7994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlGeF3]
_chemical_formula_sum '[Tl4 Ge4 F12]'
_cell_volume [412.3082]
_cell_formula_units_Z [4]
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  0.2235  0.7482  0.0142  1.0
  Ge  Ge1  4  0.2515  0.2339  0.7866  1.0
  F  F2  4  0.0161  0.1247  0.2989  1.0
  F  F3  4  0.1880  0.2308  0.0887  1.0
  F  F4  4  0.3860  0.5067  0.8115  1.0
]