data_[Ti2Tl2In2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [Cm]
_cell_length_a [10.0678]
_cell_length_b [6.2327]
_cell_length_c [5.0551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TiTlInF6]
_chemical_formula_sum '[Ti2 Tl2 In2 F12]'
_cell_volume [316.8138]
_cell_formula_units_Z [2]
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
[
  Ti  Ti0  2  0.3336  0.0000  0.5555  1.0
  Tl  Tl1  2  0.1789  0.5000  0.2335  1.0
  In  In2  2  0.0198  0.0000  0.8736  1.0
  F  F3  4  0.2287  0.2124  0.7214  1.0
  F  F4  4  0.4262  0.2192  0.3926  1.0
  F  F5  2  0.2015  0.0000  0.2710  1.0
  F  F6  2  0.4603  0.0000  0.8382  1.0
]