data_[Tl12B4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.8928]
_cell_length_b [11.3630]
_cell_length_c [5.1452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3BO6]
_chemical_formula_sum '[Tl12 B4 O24]'
_cell_volume [519.9150]
_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  0.1893  0.1127  0.0210  1.0
  Tl  Tl1  4  0.0000  0.3980  0.0978  1.0
  B  B2  4  0.0000  0.1966  0.4617  1.0
  O  O3  8  0.1352  0.2611  0.3462  1.0
  O  O4  8  0.1659  0.4752  0.8186  1.0
  O  O5  4  0.0000  0.0784  0.3310  1.0
  O  O6  4  0.0000  0.1937  0.7527  1.0
]