data_[Tl1Fe1Ge2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5670]
_cell_length_b [6.7241]
_cell_length_c [8.3464]
_cell_angle_alpha [89.4122]
_cell_angle_beta [89.6361]
_cell_angle_gamma [61.1982]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlFe(GeCl4)2]
_chemical_formula_sum '[Tl1 Fe1 Ge2 Cl8]'
_cell_volume [322.9401]
_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  1  0.0000  0.0000  0.5000  1
  Fe  Fe1  1  0.0000  0.0000  0.0000  1
  Ge  Ge2  2  0.3378  0.3326  0.1555  1
  Cl  Cl3  2  0.0521  0.7033  0.8418  1
  Cl  Cl4  2  0.2534  0.0556  0.8423  1
  Cl  Cl5  2  0.2975  0.7575  0.1610  1
  Cl  Cl6  2  0.3380  0.3280  0.4285  1
]