data_[Tl4Sn4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5939]
_cell_length_b [8.3368]
_cell_length_c [8.1137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlSnF4]
_chemical_formula_sum '[Tl4 Sn4 F16]'
_cell_volume [494.1919]
_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  0.2077  0.0000  0.4897  1
  Sn  Sn1  4  0.2500  0.2500  0.0000  1
  F  F2  8  0.1126  0.1789  0.7049  1
  F  F3  4  0.0000  0.2138  0.0000  1
  F  F4  4  0.1720  0.5000  0.9091  1
]