data_[Tl2Ge2F6]
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 [P1]
_cell_length_a [4.5853]
_cell_length_b [6.4012]
_cell_length_c [7.3598]
_cell_angle_alpha [87.1588]
_cell_angle_beta [86.1559]
_cell_angle_gamma [83.1530]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlGeF3]
_chemical_formula_sum '[Tl2 Ge2 F6]'
_cell_volume [213.8053]
_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  1  0.5005  0.5627  0.7589  1.0
  Tl  Tl1  1  0.5378  0.0609  0.1612  1.0
  Ge  Ge2  1  0.0080  0.5545  0.2679  1.0
  Ge  Ge3  1  0.9959  0.0533  0.6324  1.0
  F  F4  1  0.0314  0.2908  0.7677  1.0
  F  F5  1  0.0828  0.8073  0.1344  1.0
  F  F6  1  0.6934  0.9686  0.7971  1.0
  F  F7  1  0.7193  0.5067  0.1102  1.0
  F  F8  1  0.7249  0.2174  0.4862  1.0
  F  F9  1  0.7302  0.7141  0.4236  1.0
]