data_[Tl1Ge1F3]
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 [4.7204]
_cell_length_b [4.7318]
_cell_length_c [4.8598]
_cell_angle_alpha [101.8556]
_cell_angle_beta [93.8310]
_cell_angle_gamma [90.3706]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlGeF3]
_chemical_formula_sum '[Tl1 Ge1 F3]'
_cell_volume [105.9710]
_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  0.1046  0.0334  0.9622  1.0
  Ge  Ge1  1  0.5182  0.4989  0.4946  1.0
  F  F2  1  0.4779  0.5371  0.8866  1.0
  F  F3  1  0.4797  0.9076  0.5452  1.0
  F  F4  1  0.9196  0.5331  0.5515  1.0
]