data_[Tl4C8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.9685]
_cell_length_b [4.0913]
_cell_length_c [8.7568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl(CO3)2]
_chemical_formula_sum '[Tl4 C8 O24]'
_cell_volume [633.0038]
_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  0.0000  0.3913  0.7500  1
  C  C1  8  0.2241  0.4673  0.7894  1
  O  O2  8  0.0303  0.0604  0.4857  1
  O  O3  8  0.1823  0.3674  0.8532  1
  O  O4  8  0.2317  0.1942  0.2782  1
]