data_[Ti4Nb4Tl4O16F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.3977]
_cell_length_b [10.3238]
_cell_length_c [7.5370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.2625]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TiNbTl(O2F)2]
_chemical_formula_sum '[Ti4 Nb4 Tl4 O16 F8]'
_cell_volume [589.1678]
_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
[
  Ti  Ti0  4  0.0093  0.0019  0.5171  1.0
  Nb  Nb1  4  0.2592  0.2385  0.9944  1.0
  Tl  Tl2  4  0.0702  0.4102  0.3880  1.0
  O  O3  4  0.1512  0.1300  0.0829  1.0
  O  O4  4  0.1799  0.1204  0.7344  1.0
  O  O5  4  0.3095  0.3842  0.8850  1.0
  O  O6  4  0.4888  0.1771  0.2354  1.0
  F  F7  4  0.2942  0.3776  0.2392  1.0
  F  F8  4  0.4877  0.4328  0.7436  1.0
]