data_[Tl24Br16O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [16.2483]
_cell_length_b [8.6469]
_cell_length_c [15.1059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Tl6Br4O]
_chemical_formula_sum '[Tl24 Br16 O4]'
_cell_volume [1833.7562]
_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  0.0026  0.3209  0.2181  1
  Tl  Tl1  4  0.0771  0.4536  0.4957  1
  Tl  Tl2  4  0.1863  0.2296  0.7364  1
  Tl  Tl3  4  0.2440  0.1955  0.4373  1
  Tl  Tl4  4  0.3332  0.2178  0.1403  1
  Tl  Tl5  4  0.4937  0.4648  0.9138  1
  Br  Br6  4  0.0500  0.2948  0.8263  1
  Br  Br7  4  0.1579  0.1265  0.1876  1
  Br  Br8  4  0.3267  0.4261  0.6587  1
  Br  Br9  4  0.3644  0.1835  0.9456  1
  O  O10  4  0.0844  0.2425  0.3942  1
]