data_[Tl1In1Sn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2800]
_cell_length_b [5.3784]
_cell_length_c [8.1174]
_cell_angle_alpha [84.5018]
_cell_angle_beta [86.7444]
_cell_angle_gamma [89.1409]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlInSn2F8]
_chemical_formula_sum '[Tl1 In1 Sn2 F8]'
_cell_volume [229.0753]
_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  1.0
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4855  0.4838  0.2439  1.0
  F  F3  2  0.1701  0.7913  0.8156  1.0
  F  F4  2  0.2276  0.8404  0.1906  1.0
  F  F5  2  0.2794  0.2888  0.9447  1.0
  F  F6  2  0.3066  0.3561  0.5831  1.0
]