data_[Tl4Se8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.1894]
_cell_length_b [6.2185]
_cell_length_c [19.3030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [Tl(SeO3)2]
_chemical_formula_sum '[Tl4 Se8 O24]'
_cell_volume [742.9545]
_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  0.2266  0.7774  0.4167  1
  Se  Se1  4  0.2052  0.2479  0.5860  1
  Se  Se2  4  0.2053  0.2545  0.2596  1
  O  O3  4  0.0308  0.6989  0.0890  1
  O  O4  4  0.0587  0.4331  0.5444  1
  O  O5  4  0.1478  0.2858  0.1767  1
  O  O6  4  0.1496  0.9969  0.5617  1
  O  O7  4  0.1861  0.5346  0.7983  1
  O  O8  4  0.2002  0.9854  0.7811  1
]