data_[Tl4In4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8554]
_cell_length_b [5.4962]
_cell_length_c [5.9616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlInF4]
_chemical_formula_sum '[Tl4 In4 F16]'
_cell_volume [435.2948]
_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  0.0000  0.2623  0.7500  1.0
  In  In1  4  0.2500  0.2500  0.5000  1.0
  F  F2  8  0.1059  0.1181  0.4419  1.0
  F  F3  8  0.2028  0.4516  0.1781  1.0
]