data_[Tl24I4O8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0001]
_cell_length_b [14.1753]
_cell_length_c [6.6707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl6IO2F]
_chemical_formula_sum '[Tl24 I4 O8 F4]'
_cell_volume [1290.7384]
_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  8  0.1252  0.0681  0.7418  1
  Tl  Tl1  8  0.1305  0.3047  0.9615  1
  Tl  Tl2  8  0.1351  0.4286  0.4666  1
  I  I3  4  0.0000  0.1817  0.2500  1
  O  O4  8  0.2091  0.4289  0.1883  1
  F  F5  4  0.0000  0.4247  0.7500  1
]